| SpectraBase Spectrum ID |
FbwtVupbVKc |
| Name |
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-5-ethyl-6-methyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O5 |
| InChI |
InChI=1S/C29H50O5/c1-7-17(15(2)3)27(34)26(33)16(4)19-8-9-20-18-12-23(30)22-13-24(31)25(32)14-29(22,6)21(18)10-11-28(19,20)5/h15-22,24-27,31-34H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,24+,25-,26+,27+,28+,29+/m0/s1 |
| InChIKey |
WADMTJKRYLAHQV-SMYFRTDVSA-N |
| Molecular Weight |
478.714 g/mol |
| SMILES |
O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(C[C@@]([C@@](C[C@]4(C(C3)=O)[H])(O)[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(CC)[H])[H] |
| SPLASH |
splash10-03di-0029000000-3aeacd7f14b8a40fb0cb |
| Source of Spectrum |
F-52-2445-15 |
| Wiley ID |
795275 |
![(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/FbwtVupbVKc/structure.png?h=300&w=458 "(2S,3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethyl-hexyl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one")
