| SpectraBase Spectrum ID |
Ba7wSvWm6mb |
| Name |
20.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-3-ONE |
| CAS Registry Number |
18880-79-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| 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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
DYVGYXXLXQESJE-SKLBOBKVSA-N |
| Molecular Weight |
318.501 g/mol |
| Nominal Mass |
318 u |
| Number of Peaks |
97 |
| SMILES |
O[C@]([C@]1(CC[C@]2([C@@]3(CC[C@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])[H])(C)[H] |
| SPLASH |
splash10-001i-9550000000-cc806ab706a7fb582dfa |
| Source File Reference |
LMCM-35116-789C |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
20-HYDROXYPREGNAN-3-ONE
(5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_388 |
