| SpectraBase Spectrum ID |
13z9AekYj2 |
| Name |
5.alpha.,6.alpha.-Epoxypregnan-3.beta.-ol |
| Alternate Name(s) |
(3S,4aR,5aS,6aS,6bS,9S,9aR,11aS,11bR)-9-ethyl-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-4-13-5-6-16-15-11-18-21(23-18)12-14(22)7-10-20(21,3)17(15)8-9-19(13,16)2/h13-18,22H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,18-,19+,20+,21-/m0/s1 |
| InChIKey |
QVARGDILUJYXSO-UXXFREBZSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
O[C@@]1(C[C@@]23O[C@]3(C[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1([C@@](CC)(CC[C@@]31[H])[H])C)[H])[H])[H])[H] |
| SPLASH |
splash10-05mo-9512000000-f7204bcb4ec30ac76d15 |
| Source of Spectrum |
PS-50-1736-7 |
| Wiley ID |
1319027 |
