Description
Pterisolic acid A is a natural diterpenoid found in the herbs of Pteris semipinnata.
Synonyms
(4alpha,6alpha)-6,13-Dihydroxy-15-oxokaura-9(11),16-dien-18-oic acid
IUPAC Name
(1R,3S,4S,5R,9R,13S)-3,13-dihydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Formula
C20H26O5
Canonical SMILES
CC12CCCC(C1C(CC34C2=CCC(C3)(C(=C)C4=O)O)O)(C)C(=O)O
InChI
InChI=1S/C20H26O5/c1-11-15(22)19-9-12(21)14-17(2,6-4-7-18(14,3)16(23)24)13(19)5-8-20(11,25)10-19/h5,12,14,21,25H,1,4,6-10H2,2-3H3,(H,23,24)/t12-,14-,17-,18+,19+,20-/m0/s1
InChIKey
QHDAFFWLZDOSSY-ZQWMEVDHSA-N
Boiling Point
580.3±50.0 °C(Predicted)
Density
1.33±0.1 g/cm3(Predicted)