Description
28-Hydroxy-3-oxoolean-12-en-29-oic acid is a natural triterpenoid found in the herbs of Celastrus paniculatus.
Synonyms
28-Hydroxy-3-oxoolean-12-en-29-oic acid
IUPAC Name
4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular Formula
C30H46O4
Canonical SMILES
CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)CO)C)C)C
InChI
InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,24(33)34)13-15-30(20,18-31)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)
InChIKey
HVLPFRAXQYBRJO-UHFFFAOYSA-N