12alpha-Hydroxykaura-9(11),16-dien-18-oic acid

CAS	63768-17-2
Synonyms	12α-Hydroxygrandiflorenic acid
IUPAC Name	(1S,4S,5R,9R,12S,13R)-12-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Molecular Weight	316.44
Molecular Formula	C20H28O3
Canonical SMILES	C[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=C[C@@H]([C@H](C3)C(=C)C4)O)(C)C(=O)O
InChI	InChI=1S/C20H28O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13-15,21H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1
InChI Key	YKLRBAUBANVECM-SUIOEDAWSA-N
Boiling Point	495.2±45.0 °C
Purity	98%
Density	1.19±0.1 g/ml
pKa	4.65±0.60
Appearance	Solid