Description
Grandiflorenic acid (GA) is a natural diterpenoid found in the herbs of Siegesbeckia orientalis L. Grandiflorenic acid shows the uterine responses induced by ZACE.
Synonyms
Kauradienoic acid; ent-kaura-9(11),16-dien-18-oic acid; Kaura-9(11),16-dien-18-oic acid, (4α)-; (4R,4aS,6aS,9R,11bR)-4,11b-dimethyl-8-methylene-1,2,3,4,4a,5,6,7,8,9,10,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid; (5β,8α,10α)-Kaura-9(11),16-dien-18-oic acid
IUPAC Name
(1S,4S,5R,9R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Formula
C20H28O2
Canonical SMILES
CC12CCCC(C1CCC34C2=CCC(C3)C(=C)C4)(C)C(=O)O
InChI
InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h6,14-15H,1,4-5,7-12H2,2-3H3,(H,21,22)/t14-,15+,18-,19-,20-/m1/s1
InChIKey
RJIPNPHMQGDUBW-RFGKEDTNSA-N
Boiling Point
447.5±44.0°C (Predicted)
Density
1.12±0.1 g/cm3 (Predicted)