Pterisolic Acid F

CAS	1401419-90-6
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 Weight	366.45
Molecular Formula	C20H30O6
Canonical SMILES	C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@]2(CC[C@H](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
InChI Key	DEXISWHCLDQHNE-XPDSNTSVSA-N
Boiling Point	583.6±50.0 °C
Purity	98%
Density	1.36±0.1 g/ml
pKa	4.52±0.70
Appearance	Solid