| SpectraBase Spectrum ID |
B3slurXFCoe |
| Name |
(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| CAS Registry Number |
130798-13-9 |
| 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)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-25,30H,7-15,17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,28-,29-/m1/s1 |
| InChIKey |
JOLKQVLDUDGYNR-ZOJPFNMOSA-N |
| Molecular Weight |
428.701 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C(C(=O)C[C@@]3([C@@]2(CC[C@@]2([C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC[C@@]32[H])[H])C)[H])[H])=C1)C)[H] |
| SPLASH |
splash10-004i-0010900000-07479dc562d1e2e694d9 |
| Source of Spectrum |
J-56-1937-5 |
| Wiley ID |
1380970 |
![(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/B3slurXFCoe/structure.png?h=300&w=458 "(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one")
