| SpectraBase Compound ID | L0EtYfsYyu2 |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-20-9-8-15(22)18(24)13(20)5-4-11-12-6-7-14(19(25)26-3)21(12,2)10-16(23)17(11)20/h11-15,17-18,22,24H,4-10H2,1-3H3 |
| InChIKey | NHRJCSKIZVBYON-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9tUgF0XEt7R |
|---|---|
| Name | Androstane-17-carboxylic acid, 3,4-dihydroxy-11-oxo-, methyl ester, (3.beta.,4.beta.,5.alpha.,17.beta.)- |
| CAS Registry Number | 55282-39-8 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-20-9-8-15(22)18(24)13(20)5-4-11-12-6-7-14(19(25)26-3)21(12,2)10-16(23)17(11)20/h11-15,17-18,22,24H,4-10H2,1-3H3 |
| InChIKey | NHRJCSKIZVBYON-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | OC1C(CCC2(C1CCC1C2C(CC2(C1CCC2C(OC)=O)C)=O)C)O |
| SPLASH | splash10-01ot-7945000000-fc77cb32065e1edc3f65 |
| Source of Spectrum | T-67-4193-0 |
| Synonyms | Methyl 3,4-dihydroxy-11-oxoandrostane-17-carboxylate 3,4-Dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester 3,4-Dihydroxy-11-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Methyl 10,13-dimethyl-3,4-bis(oxidanyl)-11-oxidanylidene-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Methyl 3,4-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 53680 |