2,3,23-Trihydroxy-12-Oleanen-28-Oic Acid

CAS	102519-34-6
Structure
Synonyms	2α,3α,23-Trihydroxyolean-12-en-28-oic acid
IUPAC Name	(4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	488.7
Molecular Formula	C30H48O5
Canonical SMILES	C[C@@]12CC[C@@H]3[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]([C@@]3(C)CO)O)O)C
InChI	InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23+,26-,27-,28+,29+,30-/m0/s1
InChI Key	RWNHLTKFBKYDOJ-LHFSSXJCSA-N
Boiling Point	606.0±55.0 °C
Purity	98%
Density	1.19±0.1 g/ml
pKa	4.62±0.70
Appearance	Solid