| SpectraBase Compound ID | GzqdMVA7wya |
|---|---|
| InChI | InChI=1S/C21H34O4/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18(24)19(25)21(15,16)3/h12-19,23-25H,4-10H2,1-3H3 |
| InChIKey | KENLLWDHRDEXNG-UHFFFAOYSA-N |
| Mol Weight | 350.5 g/mol |
| Molecular Formula | C21H34O4 |
| Exact Mass | 350.24571 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L8HFd7EkGwa |
|---|---|
| Name | 5.alpha.-Pregnan-20-one, 3.beta.,11.alpha.,12.beta.-trihydroxy- |
| CAS Registry Number | 13384-56-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H34O4 |
| InChI | InChI=1S/C21H34O4/c1-11(22)15-6-7-16-14-5-4-12-10-13(23)8-9-20(12,2)17(14)18(24)19(25)21(15,16)3/h12-19,23-25H,4-10H2,1-3H3 |
| InChIKey | KENLLWDHRDEXNG-UHFFFAOYSA-N |
| Molecular Weight | 350.499 g/mol |
| SMILES | OC1C(C2(C(C3C1C1(C(CC(CC1)O)CC3)C)CCC2C(C)=O)C)O |
| SPLASH | splash10-0apl-9310000000-ac1d8aee9a62ea89eac9 |
| Source of Spectrum | T-66-2099-0 |
| Synonyms | 3,11,12-Trihydroxypregnan-20-one 1-(3,11,12-trihydroxy-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 1-[10,13-dimethyl-3,11,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
| Wiley ID | 51981 |