| SpectraBase Spectrum ID |
HKXMyRemsE3 |
| Name |
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-3-hydroxy-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) |
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-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 |
C28H48O4 |
| InChI |
InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17+,18+,19+,20-,21+,22+,23-,25-,26+,27-,28-/m1/s1 |
| InChIKey |
SBSXXCCMIWEPEE-ONUPISDXSA-N |
| Molecular Weight |
448.688 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@@](C(C[C@]3([C@]4([C@@]([C@@]([C@@]([C@@]([C@@]([C@@](C(C)C)(C)[H])(O)[H])(O)[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])=O)(C1)[H])C)[H] |
| SPLASH |
splash10-0002-0009000000-8b839339232e4cb74e20 |
| Source of Spectrum |
KC-0-234-3 |
| Wiley ID |
828207 |
![(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/HKXMyRemsE3/structure.png?h=300&w=458 "(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2S,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one")
