Description
12α-Methoxygrandiflorenic acid is extracted from the herbs of Siegesbeckia orientalis L.
Synonyms
12alpha-Methoxygrandiflorenic acid
IUPAC Name
(1S,4S,5R,9R,12S,13R)-12-methoxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Formula
C21H30O3
Canonical SMILES
CC12CCCC(C1CCC34C2=CC(C(C3)C(=C)C4)OC)(C)C(=O)O
InChI
InChI=1S/C21H30O3/c1-13-11-21-9-6-16-19(2,7-5-8-20(16,3)18(22)23)17(21)10-15(24-4)14(13)12-21/h10,14-16H,1,5-9,11-12H2,2-4H3,(H,22,23)/t14-,15+,16+,19-,20-,21-/m1/s1
InChIKey
OGFJKOZDMWYQDJ-KLSAVCNVSA-N