2α,3α,24-Trihydroxyurs-12-en-28-oic acid

CAS	89786-83-4
Synonyms	2,3,24-Trihydroxy-12-ursen-28-oic acid
IUPAC Name	(1S,2R,4aS,6aR,6aS,6bR,8aR,9S,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	488.71
Molecular Formula	C30H48O5
Canonical SMILES	C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]([C@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
InChI	InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27-,28-,29-,30+/m1/s1
InChI Key	JXSVIVRDWWRQRT-UMCOSQRYSA-N
Boiling Point	609.4±55.0 °C
Melting Point	288-290 °C
Purity	98%
Density	1.18±0.1 g/ml
pKa	4.66±0.70
Appearance	Solid