![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](/api/spectrum/GZPEa0Eyo7Q/structure.png?h=300&w=458 "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")
| SpectraBase Compound ID | NVUsprb2Qi |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3 |
| InChIKey | YSBQFDHILMUWPK-UHFFFAOYSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GZPEa0Eyo7Q |
|---|---|
| Name | 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 |
| CAS Registry Number | 4139-88-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h13,15-18H,4-12H2,1-3H3 |
| InChIKey | YSBQFDHILMUWPK-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | CC12C(C3C(C4(C)C(CC(=O)CC4)CC3)CC1)CCC2C(OC)=O |
| SPLASH | splash10-001i-0095000000-8720fa577cd9798a509c |
| Source of Spectrum | T-68-4775-0 |
| Synonyms | Androstane-17-carboxylic acid, 3-oxo-, methyl ester, (5.beta.,17.beta.)- 3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Methyl 3-oxoandrostane-17-carboxylate Methyl 10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Methyl 10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 1329727 |