3β-Hydroxyolean-18-en-28-oic acid

CAS	559-68-2
Structure
Synonyms	Agauriolic acid
IUPAC Name	(4aS,6aR,6aR,6bR,8aR,10S,12aR,14aS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	456.7
Molecular Formula	C30H48O3
Canonical SMILES	C[C@@]12CC[C@]3(CCC(C=C3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C)C(=O)O
InChI	InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-23,31H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,23+,27+,28-,29-,30+/m1/s1
InChI Key	RGZSSKBTFGNUCG-VNTGHVHSSA-N
Boiling Point	551.8±50.0 °C
Melting Point	309 °C
Purity	98%
Density	1.10±0.1 g/ml
pKa	4.58±0.70
Appearance	Solid