| SpectraBase Compound ID | Hlf3Ja06mrW |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | AURFZBICLPNKBZ-FZCSVUEKSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4rt9SHGkdpV |
|---|---|
| Name | (3beta,5alpha)-3-hydroxypregnan-20-one |
| Alternate Name(s) | 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| CAS Registry Number | 516-55-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | AURFZBICLPNKBZ-FZCSVUEKSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4(C(=O)C)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0gb9-0019000000-c3d81ecc95f435f49b0d |
| Source of Spectrum | E1-40-1146-7 |
| Wiley ID | 1519398 |