Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2006-05-22 14:17:39 UTC |
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Update Date | 2022-03-07 02:49:13 UTC |
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HMDB ID | HMDB0002157 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 27-Norcholestanehexol |
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Description | 27-Norcholestanehexol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. (PMID: 6548247 , 11718684 ). |
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Structure | [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1 |
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Synonyms | Value | Source |
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27-N-5-CH | MeSH | 27-Nor-5beta-cholestane- 3alpha,7alpha,12alpha,24alpha,24xi,25xi,26-hexol | MeSH | 27-Norcholestane-3,7,12,24,25,26-hexol | MeSH |
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Chemical Formula | C26H46O6 |
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Average Molecular Weight | 454.6398 |
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Monoisotopic Molecular Weight | 454.329439204 |
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IUPAC Name | (1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-2,15-dimethyl-14-[(2R)-5,6,7-trihydroxyheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol |
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Traditional Name | 27-norcholestanehexol |
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CAS Registry Number | 91999-66-5 |
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SMILES | [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO |
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InChI Identifier | InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1 |
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InChI Key | PYLPANOYZCSFOX-UCIVWCSPSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Bile acids, alcohols and derivatives |
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Direct Parent | Pentahydroxy bile acids, alcohols and derivatives |
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Alternative Parents | |
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Substituents | - Cholesterol-skeleton
- Pentahydroxy bile acid, alcohol, or derivatives
- Cholestane-skeleton
- 25-hydroxysteroid
- 24-hydroxysteroid
- 3-hydroxysteroid
- 12-hydroxysteroid
- 7-hydroxysteroid
- 3-alpha-hydroxysteroid
- Hydroxysteroid
- Fatty alcohol
- Fatty acyl
- Cyclic alcohol
- Secondary alcohol
- Polyol
- Primary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Alcohol
- Organooxygen compound
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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27-Norcholestanehexol,1TMS,isomer #1 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3765.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TMS,isomer #2 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3852.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TMS,isomer #3 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3823.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3862.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TMS,isomer #5 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3857.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TMS,isomer #6 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3844.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3710.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #10 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3761.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #11 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3747.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #12 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3737.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #13 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3815.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #14 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3833.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #15 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3820.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #2 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3707.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #3 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3678.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #4 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3707.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #5 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3703.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #6 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3803.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #7 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3803.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #8 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3786.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TMS,isomer #9 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3738.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3657.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #10 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3666.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #11 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3723.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #12 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3745.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #13 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3676.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #14 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3732.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #15 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3669.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #16 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3646.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #17 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3700.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #18 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3713.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #19 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3706.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #2 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3660.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #20 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3801.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #3 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3659.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3660.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #5 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3652.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #6 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3647.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #7 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3657.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #8 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3622.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TMS,isomer #9 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3624.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3635.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #10 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3581.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #11 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3689.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #12 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3607.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #13 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3613.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #14 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3602.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #15 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 3675.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #2 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3605.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #3 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3606.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3615.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #5 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3616.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #6 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3615.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #7 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3600.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #8 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3598.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,4TMS,isomer #9 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3597.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C | 3624.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #2 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3597.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #3 | C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3589.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3584.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #5 | C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3575.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,5TMS,isomer #6 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O | 3598.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,6TMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C | 3593.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #1 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 3969.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #2 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4052.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #3 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4025.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4086.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #5 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4077.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,1TBDMS,isomer #6 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4068.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4147.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #10 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4200.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #11 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4183.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #12 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4178.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #13 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4271.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #14 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4279.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #15 | C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4274.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #2 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4136.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #3 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4115.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #4 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4137.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #5 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4132.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #6 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4253.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #7 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4257.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #8 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4237.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,2TBDMS,isomer #9 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4163.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #1 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4318.1 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #10 | C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4307.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #11 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4416.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #12 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4434.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #13 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4336.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #14 | C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4422.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #15 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4328.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #16 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O | 4314.7 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #17 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4374.4 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #18 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4382.9 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #19 | C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4378.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #2 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4319.6 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #20 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O | 4487.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #3 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4301.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #4 | C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4303.3 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #5 | C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4318.0 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #6 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4283.5 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #7 | C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4299.2 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #8 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4273.8 | Semi standard non polar | 33892256 | 27-Norcholestanehexol,3TBDMS,isomer #9 | C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C | 4278.0 | Semi standard non polar | 33892256 |
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