| SpectraBase Spectrum ID |
HmsitPP02mF |
| Name |
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Alternate Name(s) |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O2 |
| InChI |
InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20+,22+,23-,24+,25+,27+,28+,29-/m1/s1 |
| InChIKey |
ICFXJOAKQGDRCT-HPYBIPJLSA-N |
| Molecular Weight |
428.701 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(C1)=CC([C@]1([C@@]3(CC[C@]([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)C)[H] |
| SPLASH |
splash10-004i-0010900000-3b14bf995dde318c636b |
| Source of Spectrum |
X2-55-1593-6 |
| Wiley ID |
1604622 |
