Description
Pterisolic acid E is extracted from the herbs of Pteris semipinnata.
Synonyms
(4alpha,12beta)-9,12-Dihydroxy-15-oxokauran-18-oic acid
IUPAC Name
(1R,4S,5R,9R,10R,12R,13R,14R)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Formula
C20H30O5
Canonical SMILES
CC1C2CC3(C1=O)CCC4C(CCCC4(C3(CC2O)O)C)(C)C(=O)O
InChI
InChI=1S/C20H30O5/c1-11-12-9-19(15(11)22)8-5-14-17(2,16(23)24)6-4-7-18(14,3)20(19,25)10-13(12)21/h11-14,21,25H,4-10H2,1-3H3,(H,23,24)/t11-,12-,13-,14-,17-,18-,19+,20-/m1/s1
InChIKey
IZIVAPRKBMMUKE-NBVFGAQYSA-N
Boiling Point
539.0±50.0 °C(Predicted)
Density
1.28±0.1 g/cm3(Predicted)