| SpectraBase Compound ID | 1bQFINpnhMS |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-20-12-11-16-14(15(20)9-10-17(20)19(23)24-3)8-7-13-5-4-6-18(22)21(13,16)2/h13-17H,4-12H2,1-3H3 |
| InChIKey | HBWNDDMAMLEDKM-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 | B01EJ9MDGfw |
|---|---|
| Name | 5.beta.-Androstane-17.beta.-carboxylic acid, 1-oxo-, methyl ester |
| CAS Registry Number | 15173-62-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-20-12-11-16-14(15(20)9-10-17(20)19(23)24-3)8-7-13-5-4-6-18(22)21(13,16)2/h13-17H,4-12H2,1-3H3 |
| InChIKey | HBWNDDMAMLEDKM-UHFFFAOYSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | CC12C3C(C4C(CC3)(C)C(C(OC)=O)CC4)CCC2CCCC1=O |
| SPLASH | splash10-00di-5911000000-a1134dfadf588a09c621 |
| Source of Spectrum | C-84-1436-19 |
| Synonyms | Methyl 1-oxoandrostane-17-carboxylate 1-keto-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester 10,13-dimethyl-1-oxo-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid methyl ester Methyl 10,13-dimethyl-1-oxidanylidene-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate Methyl 10,13-dimethyl-1-oxo-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylate |
| Wiley ID | 1329729 |