Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2009-07-25 00:03:58 UTC |
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Update Date | 2022-03-07 02:51:27 UTC |
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HMDB ID | HMDB0012613 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 19-Oic-deoxycorticosterone |
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Description | 19-hydroxydeoxycorticosterone (19,21-dihydroxy-4-pregnen-3,20-dione), 19-oxo-deoxycorticosterone (21-hydroxy-4-pregnen-3,19,20-trione), and 19-oic-deoxycorticosterone (19-oic-21-hydroxy-4-pregnen-3,20-dione)are formed from precursor deoxycorticosterone by adrenal glands obtained from intact rats and from rats undergoing adrenal regeneration.rat adrenals have the enzymes required to convert deoxycorticosterone to 19-hydroxydeoxycorticosterone, 19-oxo-deoxycorticosterone, and 19-oic-deoxycorticosterone; however, rat adrenals do not convert deoxycorticosterone or any of the oxygenated metabolites to 19-nor-deoxycorticosterone (21-hydroxy-19-nor-4-pregnen-3,20-dione). It is possible, however, that 19-nor-deoxycorticosterone is formed at peripheral sites from the oxygenated deoxycorticosterone precursors. |
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Structure | C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1 |
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Synonyms | Value | Source |
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21-Hydroxy-3,20-dioxopregn-4-en-19-Oate | HMDB | 21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid | HMDB | 21-Hydroxy-3,20-dioxopregn-4-en-19-Oic acid anion | HMDB | 19-Oic-11-deoxycorticosterone | MeSH | 19-Oic-21-hydroxy-4-pregnen-3,20-dione | MeSH | Deoxycorticosterone-19-oic | MeSH | 19-Oic-DOC | MeSH | (2S,14S,15S)-14-(2-Hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylate | Generator | 19-Oic-deoxycorticosterone | MeSH |
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Chemical Formula | C21H28O5 |
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Average Molecular Weight | 360.444 |
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Monoisotopic Molecular Weight | 360.193674006 |
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IUPAC Name | (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid |
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Traditional Name | (2S,14S,15S)-14-(2-hydroxyacetyl)-15-methyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-ene-2-carboxylic acid |
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CAS Registry Number | 81309-33-3 |
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SMILES | C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C(O)=O)C1CC[C@@H]2C(=O)CO |
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InChI Identifier | InChI=1S/C21H28O5/c1-20-8-7-16-14(15(20)4-5-17(20)18(24)11-22)3-2-12-10-13(23)6-9-21(12,16)19(25)26/h10,14-17,22H,2-9,11H2,1H3,(H,25,26)/t14?,15?,16?,17-,20+,21-/m1/s1 |
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InChI Key | RUPOMAOZPOVHQZ-TTYNRZOGSA-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
- 19-oxosteroid
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- Oxosteroid
- Delta-4-steroid
- Cyclohexenone
- Alpha-hydroxy ketone
- Cyclic ketone
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxide
- Organic oxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Primary alcohol
- Organooxygen compound
- 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 | |
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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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19-Oic-deoxycorticosterone,1TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO | 3301.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3390.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TMS,isomer #3 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O)C1CCC2=C(CO)O[Si](C)(C)C | 3334.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TMS,isomer #4 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=O)CO | 3313.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TMS,isomer #5 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3307.5 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3333.8 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C | 3270.9 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #3 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO | 3214.7 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #4 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3217.0 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #5 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3352.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #6 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3307.7 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #7 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3325.7 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #8 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CCC2=C(CO)O[Si](C)(C)C | 3277.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TMS,isomer #9 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3222.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3293.9 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3199.8 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3763.9 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3208.5 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3248.4 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=O)CO[Si](C)(C)C | 3770.9 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #3 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3283.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #3 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3143.0 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #3 | C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3777.3 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #4 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C | 3187.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #4 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C | 3209.2 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #4 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO)O[Si](C)(C)C | 3802.9 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #5 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3120.7 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #5 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3180.0 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #5 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C | 3829.9 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #6 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3255.2 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #6 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3294.7 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #6 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3846.6 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #7 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3235.8 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #7 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3256.7 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TMS,isomer #7 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3865.4 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3181.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3279.1 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #1 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CCC2=C(CO[Si](C)(C)C)O[Si](C)(C)C | 3686.3 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3176.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3230.7 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TMS,isomer #2 | C[C@]12CCC3C(CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C(=O)O[Si](C)(C)C)C1CC[C@@H]2C(=CO[Si](C)(C)C)O[Si](C)(C)C | 3734.8 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO | 3578.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O)C3CC[C@@]21C | 3678.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(CO)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O)C3CC[C@]12C | 3610.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C(=O)O)C(=C1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO | 3581.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=CO)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O)C3CC[C@@]21C | 3545.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3846.5 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CCC(=O)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12 | 3787.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)CO | 3681.8 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CCC(=O)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C | 3681.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O)C3CC[C@]12C | 3872.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O)C3CC[C@@]21C | 3787.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@@]21C | 3795.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C(=O)O)C(=C1)CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12 | 3781.0 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C(=O)O)C(=C1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C | 3685.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 3994.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 3901.4 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 4012.6 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3946.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3815.2 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 4025.2 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3876.6 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3907.9 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC(=O)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 4006.2 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12 | 3899.4 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12 | 3840.2 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C3CCC(=C(CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)CCC12 | 4030.9 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C | 3813.9 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C | 3796.8 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@]12CC=C(O[Si](C)(C)C(C)(C)C)C=C1CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=CO)O[Si](C)(C)C(C)(C)C | 4052.6 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@]12C | 3952.3 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@]12C | 3935.0 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@]12C | 4081.5 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@@]21C | 3877.0 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@@]21C | 3861.9 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O)C3CC[C@@]21C | 4109.8 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 4048.8 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 4069.3 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@]12C | 3925.7 | Standard polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 4025.1 | Semi standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3998.2 | Standard non polar | 33892256 | 19-Oic-deoxycorticosterone,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@H]1CCC2C3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C(=O)O[Si](C)(C)C(C)(C)C)C3CC[C@@]21C | 3962.9 | Standard polar | 33892256 |
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