| SpectraBase Spectrum ID |
4McfdQcwpo6 |
| Name |
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| Alternate Name(s) |
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(1R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H48O4 |
| InChI |
InChI=1S/C27H48O4/c1-17(16-28)6-5-7-18(2)21-8-9-22-20-14-24(30)27(31)15-19(29)10-13-26(27,4)23(20)11-12-25(21,22)3/h17-24,28-31H,5-16H2,1-4H3/t17?,18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey |
PFYSRSDOSXYIFG-DUNVRISLSA-N |
| Molecular Weight |
436.677 g/mol |
| SMILES |
OCC(CCC[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4([C@@](C3)(O)[H])O)(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])C |
| SPLASH |
splash10-0ufr-0064900000-0ec799eb346c9d403ee2 |
| Source of Spectrum |
G4-59-150-4 |
| Wiley ID |
1606169 |
![(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol](/api/spectrum/4McfdQcwpo6/structure.png?h=300&w=458 "(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-7-oxidanyl-heptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol")
