| SpectraBase Spectrum ID |
9SnhC0cMRTZ |
| Name |
17-.alpha.-Ethylequilen-17.beta.-ol |
| Alternate Name(s) |
(13S,17R)-17-Ethyl-3-methoxy-13-methyl-12,13,14,15,16,17-hexahydro-11H-cyclopenta[a]phenanthren-17-ol
(17alpha)-17-ethyl-3-methoxyestra-1(10),2,4,6,8-pentaen-17-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2 |
| InChI |
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h5-8,13,19,22H,4,9-12H2,1-3H3/t19?,20-,21+/m0/s1 |
| InChIKey |
XKVMXAPPXJDBNF-GJGLBJJNSA-N |
| Molecular Weight |
310.437 g/mol |
| SMILES |
O[C@]1([C@@]2(C(c3ccc4c(c3CC2)ccc(OC)c4)CC1)C)CC |
| SPLASH |
splash10-03di-0029000000-e5fb043ffc423131aa7e |
| Source of Spectrum |
QF-42-191-4 |
| Wiley ID |
833014 |
