1β-Hydroxyeuscaphic acid

Catalog	BBC120211985
CAS	120211-98-5
Structure
Synonyms	Urs-12-en-28-oic acid, 1,2,3,19-tetrahydroxy-, (1β,2α,3α)-
IUPAC Name	(1R,2R,4aS,6aS,6aS,6bR,10S,11S,12S,12aR,14bR)-1,10,11,12-tetrahydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	504.71
Molecular Formula	C30H48O6
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4([C@@H]([C@H]([C@H](C5(C)C)O)O)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O
InChI	InChI=1S/C30H48O6/c1-16-10-13-30(24(34)35)15-14-26(4)17(21(30)29(16,7)36)8-9-19-27(26,5)12-11-18-25(2,3)22(32)20(31)23(33)28(18,19)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18?,19+,20+,21+,22-,23-,26-,27-,28+,29-,30+/m1/s1
InChI Key	VULLSLYDWNGNKZ-JLEXXDIYSA-N
Boiling Point	619.1±55.0 °C
Purity	98%
Density	1.23±0.1 g/ml
Appearance	Solid
pKa	4.45±0.70