Description
Pterisolic acid F is a natural diterpenoid found in the herbs of Pteris semipinnata.
Synonyms
(4alpha,16alpha)-9,16,17-Trihydroxy-15-oxokauran-18-oic acid
IUPAC Name
(1R,4S,5R,9R,10R,13R,14S)-10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Molecular Formula
C20H30O6
Canonical SMILES
CC1(CCCC2(C1CCC34C2(CCC(C3)C(C4=O)(CO)O)O)C)C(=O)O
InChI
InChI=1S/C20H30O6/c1-16(15(23)24)6-3-7-17(2)13(16)5-8-18-10-12(4-9-20(17,18)26)19(25,11-21)14(18)22/h12-13,21,25-26H,3-11H2,1-2H3,(H,23,24)/t12-,13-,16-,17-,18+,19-,20-/m1/s1
InChIKey
DEXISWHCLDQHNE-XPDSNTSVSA-N
Boiling Point
583.6±50.0 °C(Predicted)
Density
1.36±0.1 g/cm3(Predicted)