Description
3,7,16-Trihydroxystigmast-5-ene isolated from the herbs of Walsura robusta.
Synonyms
3β,7α,16β-Trihydroxystigmast-5-ene
IUPAC Name
(8S,9S,10R,13S,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,16-triol
Molecular Formula
C29H50O3
Canonical SMILES
CCC(CCC(C)C1C(CC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)O)C(C)C
InChI
InChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(32)16-23-26-22(11-13-29(23,27)6)28(5)12-10-21(30)14-20(28)15-24(26)31/h15,17-19,21-27,30-32H,7-14,16H2,1-6H3/t18-,19-,21?,22+,23+,24?,25?,26-,27+,28+,29+/m1/s1
InChIKey
GSNYNPKRIFCZGN-DZBXCDHOSA-N