Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-07-09 16:12:43 UTC |
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Update Date | 2021-09-14 15:18:10 UTC |
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HMDB ID | HMDB0061016 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 16α-hydroxyprednisolone |
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Description | 16α-hydroxyprednisolone is a metabolite of budesonide. Budesonide is a glucocorticoid steroid for the treatment of asthma and non-infectious rhinitis (including hay fever and other allergies), and for treatment and prevention of nasal polyposis. In addition, it is used for Crohn's disease. (Wikipedia) |
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Structure | C[C@@]12C[C@@H](O)C3C(CCC4=CC(=O)C=C[C@@]34C)C1C[C@H](O)[C@@]2(O)C(=O)CO InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18?,19-,20-,21-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H28O6 |
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Average Molecular Weight | 376.4434 |
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Monoisotopic Molecular Weight | 376.188588628 |
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IUPAC Name | (2S,13S,14R,15R,17R)-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one |
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Traditional Name | (2S,13S,14R,15R,17R)-13,14,17-trihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-5-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@]12C[C@@H](O)C3C(CCC4=CC(=O)C=C[C@@]34C)C1C[C@H](O)[C@@]2(O)C(=O)CO |
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InChI Identifier | InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13?,14?,15-,16+,18?,19-,20-,21-/m1/s1 |
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InChI Key | SEKYBDYVXDAYPY-ASPHUSNLSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone. |
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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 | Hydroxysteroids |
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Direct Parent | 21-hydroxysteroids |
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Alternative Parents | |
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Substituents | - Progestogin-skeleton
- 21-hydroxysteroid
- Pregnane-skeleton
- 20-oxosteroid
- 3-oxo-delta-1,4-steroid
- 3-oxosteroid
- 17-hydroxysteroid
- 16-hydroxysteroid
- 11-hydroxysteroid
- 16-beta-hydroxysteroid
- 11-alpha-hydroxysteroid
- Oxosteroid
- Delta-1,4-steroid
- Tertiary alcohol
- Cyclic alcohol
- Alpha-hydroxy ketone
- Secondary alcohol
- Ketone
- Cyclic ketone
- Polyol
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- Primary alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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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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16α-hydroxyprednisolone,1TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=O)CO | 3387.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TMS,isomer #2 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=O)CO | 3429.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TMS,isomer #3 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=O)CO | 3431.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TMS,isomer #4 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=O)CO[Si](C)(C)C | 3454.2 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TMS,isomer #5 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=CO)O[Si](C)(C)C | 3410.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=O)CO | 3329.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #10 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3395.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #2 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=O)CO | 3344.8 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #3 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=O)CO[Si](C)(C)C | 3373.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #4 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=CO)O[Si](C)(C)C | 3312.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #5 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=O)CO | 3431.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #6 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=O)CO[Si](C)(C)C | 3444.1 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #7 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=CO)O[Si](C)(C)C | 3346.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #8 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | 3462.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TMS,isomer #9 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | 3377.0 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=O)CO | 3328.4 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #10 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3382.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #2 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=O)CO[Si](C)(C)C | 3337.2 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #3 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=CO)O[Si](C)(C)C | 3237.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #4 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | 3372.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #5 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | 3273.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #6 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3292.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #7 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | 3470.1 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #8 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | 3361.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TMS,isomer #9 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3336.0 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C | 3372.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TMS,isomer #2 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C | 3253.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TMS,isomer #3 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3228.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TMS,isomer #4 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3269.8 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TMS,isomer #5 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3351.1 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,5TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3253.0 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,5TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3368.7 | Standard non polar | 33892256 | 16α-hydroxyprednisolone,5TMS,isomer #1 | C[C@@]12C=CC(=O)C=C1CCC1C2[C@H](O[Si](C)(C)C)C[C@]2(C)C1C[C@H](O[Si](C)(C)C)[C@@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3642.1 | Standard polar | 33892256 | 16α-hydroxyprednisolone,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)C(C[C@H](O)[C@@]2(O)C(=O)CO)C2CCC3=CC(=O)C=C[C@@]3(C)C21 | 3616.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@@]2(C)[C@]1(O)C(=O)CO | 3666.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@]1(C(=O)CO)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3680.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3719.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3643.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@]1(O)C(=O)CO | 3785.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3873.1 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@@H]1C[C@]2(C)C(C[C@H](O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)C2CCC3=CC(=O)C=C[C@@]3(C)C21 | 3823.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 3869.4 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 3757.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@@]2(C)[C@]1(O[Si](C)(C)C(C)(C)C)C(=O)CO | 3895.5 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3926.0 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3803.2 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3958.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3847.8 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C)[C@]1(O[Si](C)(C)C(C)(C)C)C(=O)CO | 3991.2 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 4060.7 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4009.8 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 3912.0 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4062.4 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 3969.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 3953.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 4139.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 4024.4 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 3993.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4209.3 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=CO)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4118.1 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4077.9 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O[Si](C)(C)C(C)(C)C)C[C@]21C | 4136.6 | Semi standard non polar | 33892256 | 16α-hydroxyprednisolone,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC2C3CCC4=CC(=O)C=C[C@@]4(C)C3[C@H](O)C[C@]21C | 4203.8 | Semi standard non polar | 33892256 |
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