| SpectraBase Spectrum ID |
3nRvKeUVaYF |
| Name |
(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Alternate Name(s) |
(3S,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
(3S,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H48O3 |
| InChI |
InChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1 |
| InChIKey |
UROPIWALBBMYRP-NXHCPLBVSA-N |
| Molecular Weight |
420.678 g/mol |
| SMILES |
OC(CCC[C@]([C@]1(CC[C@]2([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4(C[C@]3(O)[H])[H])(O)[H])C)(CC[C@]12C)[H])[H])[H])[H])(C)[H])(C)C |
| SPLASH |
splash10-0fl1-0097300000-787b20b32c20de128274 |
| Source of Spectrum |
K1-0-3703-34 |
| Wiley ID |
1589252 |
![(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol](/api/spectrum/3nRvKeUVaYF/structure.png?h=300&w=458 "(3S,5R,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol")
