SpectraBase Spectrum ID |
J9mwk9pE59F |
Name |
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C28H48O3 |
InChI |
InChI=1S/C28H48O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-25,29H,6-16H2,1-5H3,(H,30,31)/t18-,19+,20-,21+,22+,23+,24+,25+,27-,28-/m1/s1 |
InChIKey |
RMDRSPVZJRHPQT-VCYBREFZSA-N |
Molecular Weight |
432.689 g/mol |
SMILES |
OC([C@]1([C@]2([C@](CC[C@@]1(O)[H])([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)[H])[H])=O |
SPLASH |
splash10-003r-0090800000-f3ae8906f649bf523cbb |
Source of Spectrum |
K1-0-3700-19 |
Synonyms |
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid |
Wiley ID |
1589266 |