| SpectraBase Compound ID | 1N12tNdgIfN |
|---|---|
| InChI | InChI=1S/C30H37NO3/c1-19(32)34-22-13-15-29(2)21(17-22)9-10-23-25-11-12-26(30(25,3)16-14-27(23)29)24(18-31)28(33)20-7-5-4-6-8-20/h4-8,21-23,25,27H,9-17H2,1-3H3/b26-24-/t21-,22-,23-,25-,27-,29-,30-/m0/s1 |
| InChIKey | BVEKHGVFUHWZAM-FRRTWVIOSA-N |
| Mol Weight | 459.6 g/mol |
| Molecular Formula | C30H37NO3 |
| Exact Mass | 459.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FLqGjiuYQ0g |
|---|---|
| Name | 3.beta.-Acetoxy-17-(2'-benzoylacetonitrile-2'-ylideno)-5.alpha. -androstane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H37NO3 |
| InChI | InChI=1S/C30H37NO3/c1-19(32)34-22-13-15-29(2)21(17-22)9-10-23-25-11-12-26(30(25,3)16-14-27(23)29)24(18-31)28(33)20-7-5-4-6-8-20/h4-8,21-23,25,27H,9-17H2,1-3H3/b26-24-/t21-,22-,23-,25-,27-,29-,30-/m0/s1 |
| InChIKey | BVEKHGVFUHWZAM-FRRTWVIOSA-N |
| Molecular Weight | 459.630 g/mol |
| SMILES | [C@@]12(\C(CC[C@]2([C@]2([C@]([C@]3(CC[C@](OC(=O)C)(C[C@@]3(CC2)[H])[H])C)([H])CC1)[H])[H])=C/(C(=O)c1ccccc1)C#N)C |
| SPLASH | splash10-0pb9-0609400000-6bbe6bd8e992dec42de1 |
| Source of Spectrum | EMC-40-1291-8 |
| Synonyms | 3.beta.-Acetoxy-17-(2'-benzoylacetonitrile-2'-ylideno)5.alpha. -androstane- (3S,5S,8R,9S,10S,13S,14S,Z)-17-(1-cyano-2-oxo-2-phenylethylidene)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate Acetic acid [(3S,5S,8R,9S,10S,13S,14S,17Z)-17-(1-cyano-2-oxo-2-phenylethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester [(3S,5S,8R,9S,10S,13S,14S,17Z)-17-(1-cyano-2-oxo-2-phenylethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13S,14S,17Z)-17-(1-cyano-2-oxo-2-phenyl-ethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate [(3S,5S,8R,9S,10S,13S,14S,17Z)-17-(1-cyano-2-oxidanylidene-2-phenyl-ethylidene)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1734969 |