Description
ent-16β,17-Dihydroxykauran-19-oic acid isolated from the herbs of Xanthium sibiricum Patrin.
Synonyms
ent-16beta,17-Dihydroxy-19-kauraic acid; Diterpenoid SP-II
IUPAC Name
(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Formula
C20H32O4
Canonical SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)C(=O)O
InChI
InChI=1S/C20H32O4/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1
InChIKey
MRBLTWPEPGRXQN-INIPNLRTSA-N