| SpectraBase Compound ID | DrdEilKDiDv |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-20-9-8-13(22)10-12(20)4-5-14-15-6-7-16(19(24)25-3)21(15,2)18(23)11-17(14)20/h12,14-18,23H,4-11H2,1-3H3/t12?,14?,15?,16?,17?,18-,20?,21?/m0/s1 |
| InChIKey | NYHYHCIASKRDEN-HFEFJTDWSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ax4J8z1La8y |
|---|---|
| Name | Androstane-17-carboxylic acid, 12-hydroxy-3-oxo-, methyl ester, (12.alpha.)- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-20-9-8-13(22)10-12(20)4-5-14-15-6-7-16(19(24)25-3)21(15,2)18(23)11-17(14)20/h12,14-18,23H,4-11H2,1-3H3/t12?,14?,15?,16?,17?,18-,20?,21?/m0/s1 |
| InChIKey | NYHYHCIASKRDEN-HFEFJTDWSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | O[C@@]1(C2(C(C3C(C4(CCC(CC4CC3)=O)C)C1)CCC2C(=O)OC)C)[H] |
| SPLASH | splash10-052b-8922000000-538d49e61862b016de48 |
| Source of Spectrum | IY-1-4280-5 |
| Synonyms | (12S)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Methyl (12S)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Methyl (12S)-10,13-dimethyl-12-oxidanyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 1650797 |