| SpectraBase Compound ID | GiU34NbnmeC |
|---|---|
| InChI | InChI=1S/C21H30O2/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/h4-5,12-13,16-19,22H,6-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | IQPNZLYVKOVQGH-RXRZZTMXSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JVAd54TaRST |
|---|---|
| Name | Pregna-4,6-dien-3-one, 20-hydroxy-, (20S)- |
| Alternate Name(s) | Pregna-4,6-dien-20 alpha-ol-3-one Pregna-4,6-dien-3-one, 20.alpha.-hydroxy- Cybisterone 20.alpha.-Hydroxypregna-4,6-dien-3-one (8S,9S,10R,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| CAS Registry Number | 15271-87-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/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/h4-5,12-13,16-19,22H,6-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | IQPNZLYVKOVQGH-RXRZZTMXSA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | O[C@]([C@]1(CC[C@]2([C@@]3(C=CC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])(C)[H] |
| SPLASH | splash10-0002-2590000000-3837f9efa56f9b359e0b |
| Source of Spectrum | JX-2015-6-12686 |
| Wiley ID | 1731318 |