| SpectraBase Spectrum ID |
DNEuU1kUkr2 |
| Name |
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-3,5-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O3 |
| InChI |
InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-25,30,32H,7-17H2,1-6H3/t19-,20+,21+,22+,23-,24+,25+,27-,28-,29+/m1/s1 |
| InChIKey |
PMNNRRLMGLZYLF-DYWRDPKLSA-N |
| Molecular Weight |
446.716 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](C(C[C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CC[C@@](C(C)C)(CC)[H])(C)[H])[H])C)[H])[H])=O)(C1)O)C)[H] |
| SPLASH |
splash10-0w4s-0011900000-3235f56f58fd48659810 |
| Source of Spectrum |
X2-55-1311-1 |
| Wiley ID |
1604594 |
![(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one](/api/spectrum/DNEuU1kUkr2/structure.png?h=300&w=458 "(3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-3,5-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one")
