| SpectraBase Compound ID | 1SIbGBPT0Tx |
|---|---|
| InChI | InChI=1S/C25H32O3/c1-25-14-13-18(28-24(27)16-5-3-2-4-6-16)15-17(25)7-8-20-19-10-12-23(26)21(19)9-11-22(20)25/h2-6,17-22H,7-15H2,1H3/t17-,18+,19-,20-,21-,22-,25-/m0/s1 |
| InChIKey | ZEZHCFPZTGEVJS-GSHWXVGMSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C25H32O3 |
| Exact Mass | 380.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3v5BclZa6vV |
|---|---|
| Name | (3.alpha.,5.alpha.13.beta.)-3-(Benzoyloxy)-13-hydroxy-18-norandrostan-17-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32O3 |
| InChI | InChI=1S/C25H32O3/c1-25-14-13-18(28-24(27)16-5-3-2-4-6-16)15-17(25)7-8-20-19-10-12-23(26)21(19)9-11-22(20)25/h2-6,17-22H,7-15H2,1H3/t17-,18+,19-,20-,21-,22-,25-/m0/s1 |
| InChIKey | ZEZHCFPZTGEVJS-GSHWXVGMSA-N |
| Molecular Weight | 380.528 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)[H])=O)[H])([H])CC[C@]2(C[C@](OC(=O)c2ccccc2)(CC1)[H])[H])[H])C |
| SPLASH | splash10-0a4i-0290000000-612011233a04b5931a59 |
| Source of Spectrum | J-65-3557-11 |
| Synonyms | benzoic acid [(3R,5S,8S,9S,10S,13S,14S)-10-methyl-17-oxo-2,3,4,5,6,7,8,9,11,12,13,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,5S,8S,9S,10S,13S,14S)-10-methyl-17-oxo-2,3,4,5,6,7,8,9,11,12,13,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate [(3R,5S,8S,9S,10S,13S,14S)-10-methyl-17-oxidanylidene-2,3,4,5,6,7,8,9,11,12,13,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate |
| Wiley ID | 1532376 |