SpectraBase Spectrum ID |
1D1AhcRjHjN |
Name |
(3S,5R,7S,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 |
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-YNHCFRPBSA-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 |
splash10-000i-0098100000-f1169fc3788daf3e60e9 |
Source of Spectrum |
K1-0-3704-34 |
Synonyms |
(3S,5R,7S,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,7S,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 |
Wiley ID |
1589251 |