Description
Grandifloric acid is a natural diterpenoid found in the herbs of Siegesbeckia orientalis L.
Synonyms
[15S,(-)]-15α-Hydroxykaur-16-en-18-oic acid; Grandiflorolic acid; 15alpha-Hydroxykaur-16-en-19-oic acid
IUPAC Name
(1R,4S,5R,9S,10S,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Formula
C20H30O3
Canonical SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4O)(C)C(=O)O
InChI
InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18-,19-,20-/m1/s1
InChIKey
GVGJRXSJJHLPGZ-DZAVYMGKSA-N
Boiling Point
470.7±45.0 °C(Predicted)
Density
1.16±0.1 g/cm3(Predicted)