| SpectraBase Spectrum ID |
6TIG53UJNNP |
| Name |
3.ALPHA.-HYDROXY-5.BETA.-PREGNAN-20-ONE |
| CAS Registry Number |
128-20-1 |
| 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/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21-/m1/s1 |
| InChIKey |
AURFZBICLPNKBZ-YZRLXODZSA-N |
| Molecular Weight |
318.501 g/mol |
| Nominal Mass |
318 u |
| Number of Peaks |
118 |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(C(C)=O)[H])C)[H])C)[H] |
| SPLASH |
splash10-0frx-9642000000-917e13ce922cade9adeb |
| Source File Reference |
LMCM-62646-188K |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANOLONE
3-HYDROXYPREGNAN-20-ONE
1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_390 |
