(2α,3α)-2,3-Dihydroxy-olean-12-en-28-oic acid

Catalog	BBC26563688
CAS	26563-68-8
Structure
Synonyms	3-Epimaslinic acid
IUPAC Name	(4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	472.7
Molecular Formula	C30H48O4
Canonical SMILES	C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@H](C3(C)C)O)O)C
InChI	InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21?,22-,23-,27+,28-,29-,30+/m1/s1
InChI Key	MDZKJHQSJHYOHJ-LJJNEPIXSA-N
Boiling Point	570.0±50.0 °C
Melting Point	295-297 °C
Purity	98%
Density	1.14±0.1 g/ml
Appearance	Solid
pKa	4.63±0.70