| SpectraBase Compound ID | Jvmj0aLj7lX |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-20-8-7-17-16(18(20)10-13(12-20)19(23)24-3)5-4-14-11-15(22)6-9-21(14,17)2/h4,13,15-18,22H,5-12H2,1-3H3/t13-,15+,16-,17+,18+,20-,21+/m1/s1 |
| InChIKey | ZRWCMACGUTWNIW-ANQQKMHXSA-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 | 2wtugVsiO0 |
|---|---|
| Name | Methyl 3-hydroxyandrost-5-ene-16-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-20-8-7-17-16(18(20)10-13(12-20)19(23)24-3)5-4-14-11-15(22)6-9-21(14,17)2/h4,13,15-18,22H,5-12H2,1-3H3/t13-,15+,16-,17+,18+,20-,21+/m1/s1 |
| InChIKey | ZRWCMACGUTWNIW-ANQQKMHXSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@@]4(C[C@@](C(=O)OC)(C[C@]4(CC[C@]23[H])C)[H])[H])[H])C1)C)[H] |
| SPLASH | splash10-029t-0039000000-88849381e9c39e5e1e65 |
| Source of Spectrum | AT-33-3668-1 |
| Synonyms | Methyl (3S,8S,9S,10R,13R,14S,16R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carboxylate Methyl (3S,8S,9S,10R,13R,14S,16R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carboxylate |
| Wiley ID | 836236 |