| SpectraBase Compound ID | 55mo6M4tfAh |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-13-11-16-18-6-5-17(14(2)23)20(18,3)9-8-19(16)21(4)10-7-15(24)12-22(13,21)25/h13,15-19,24-25H,5-12H2,1-4H3 |
| InChIKey | QWUQOTAMBHYWJZ-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 17iT1OSc1ai |
|---|---|
| Name | Pregnan-20-one, 3,5-dihydroxy-6-methyl-, (3.beta.,5.alpha.,6.beta.)- |
| CAS Registry Number | 56630-86-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-13-11-16-18-6-5-17(14(2)23)20(18,3)9-8-19(16)21(4)10-7-15(24)12-22(13,21)25/h13,15-19,24-25H,5-12H2,1-4H3 |
| InChIKey | QWUQOTAMBHYWJZ-UHFFFAOYSA-N |
| Molecular Weight | 348.527 g/mol |
| SMILES | OC12CC(CCC2(C)C2C(C3C(CC2)(C)C(C(C)=O)CC3)CC1C)O |
| SPLASH | splash10-0btc-5922000000-d8b89f4b883ed9c183a5 |
| Source of Spectrum | EP-6920-0-0 |
| Synonyms | 3,5-Dihydroxy-6-methylpregnan-20-one 1-(3,5-dihydroxy-6,10,13-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanone 1-[6,10,13-trimethyl-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone |
| Wiley ID | 1340981 |