| SpectraBase Spectrum ID |
CK6VIXPfDmZ |
| Name |
11-oxa-5.beta.-pregnan-3.alpha.-ol |
| Alternate Name(s) |
(2R,4aS,4bR,6aR,7S,9aS,11aR)-7-ethyl-4a,6a-dimethylhexadecahydrobenzo[h]cyclopenta[c]chromen-2-ol
11-oxa-5.beta.-propgnan-3.alpha.-ol |
| CAS Registry Number |
125303-48-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O2 |
| InChI |
InChI=1S/C20H34O2/c1-4-13-6-8-17-16-7-5-14-11-15(21)9-10-19(14,2)18(16)22-12-20(13,17)3/h13-18,21H,4-12H2,1-3H3/t13-,14+,15+,16?,17-,18+,19-,20+/m0/s1 |
| InChIKey |
ZYNDMILQXNGSIL-KHOUNMGJSA-N |
| Molecular Weight |
306.490 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(C([C@@]4(CC[C@@]([C@]4(CO3)C)(CC)[H])[H])CC[C@@]2(C1)[H])[H])C)[H] |
| SPLASH |
splash10-0a4l-0709000000-a53a15c7e44683962bd4 |
| Source of Spectrum |
J-55-2175-41 |
| Wiley ID |
1308579 |
