| SpectraBase Compound ID | Idz3TO1PBOp |
|---|---|
| InChI | InChI=1S/C21H34O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | MENYRVLDWKVWLK-YRQPXTNQSA-N |
| Mol Weight | 334.5 g/mol |
| Molecular Formula | C21H34O3 |
| Exact Mass | 334.250795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B1GggkXT9Si |
|---|---|
| Name | Androstane-3,17-diol, 3-acetate, (3.alpha.,5.alpha.,17.beta.)- |
| CAS Registry Number | 1600-76-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O3 |
| InChI | InChI=1S/C21H34O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | MENYRVLDWKVWLK-YRQPXTNQSA-N |
| Molecular Weight | 334.500 g/mol |
| SMILES | O[C@@]1([C@]2(CC[C@@]3([C@@]4([C@](C[C@](OC(=O)C)(CC4)[H])(CC[C@]3([C@@]2(CC1)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0aba-3960000000-57620825bd59b1535d37 |
| Source of Spectrum | JC-88-277-0 |
| Synonyms | (3alpha,5alpha,17beta)-17-hydroxyandrostan-3-yl acetate 3.alpha.-acetoxy-17-hydroxyandrostane 5.alpha.-androstane-3.alpha.,17.beta.-diol, 3-acetate Acetic acid[(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1331302 |