| SpectraBase Compound ID | 5VVxMk0VHkn |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-19-9-8-16-14(15(19)4-5-17(19)18(23)25-3)7-11-21(24)12-13(22)6-10-20(16,21)2/h13-17,22,24H,4-12H2,1-3H3 |
| InChIKey | YTTPULFAJFLYGU-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4IRJB19Clx1 |
|---|---|
| Name | Androstane-17-carboxylic acid, 3,5-dihydroxy-, methyl ester, (3.beta.,5.alpha.,17.beta.)- |
| CAS Registry Number | 55955-57-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-19-9-8-16-14(15(19)4-5-17(19)18(23)25-3)7-11-21(24)12-13(22)6-10-20(16,21)2/h13-17,22,24H,4-12H2,1-3H3 |
| InChIKey | YTTPULFAJFLYGU-UHFFFAOYSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | OC12CC(CCC2(C)C2C(C3C(CC2)(C)C(C(OC)=O)CC3)CC1)O |
| SPLASH | splash10-0036-9531000000-d856611578ac5f624453 |
| Source of Spectrum | H-55-1703-2 |
| Synonyms | Methyl 3,5-dihydroxyandrostane-17-carboxylate 3,5-Dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Methyl 10,13-dimethyl-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Methyl 3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 1342126 |