| SpectraBase Spectrum ID |
JPJpNAhIZe0 |
| Name |
3.BETA.-HYDROXY-5.ALPHA.-PREGNAN |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
304.276615778 u |
| Formula |
C21H36O |
| InChI |
InChI=1S/C21H36O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-19,22H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20+,21-/m0/s1 |
| InChIKey |
CEBZORSAHLSRQW-DDYSHWNRSA-N |
| Molecular Weight |
304.518 g/mol |
| Nominal Mass |
304 u |
| Number of Peaks |
112 |
| 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])(CC)[H])C)[H])C)[H] |
| SPLASH |
splash10-0kai-9752000000-e35454537a28d16f0701 |
| Source File Reference |
LMCM-11729-615Q |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNAN-3-OL
(3S,5S,8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
4_535 |
