3β-Hydroxy-1-oxoolean-12-en-28-oic acid

CAS	14356-51-5
Structure
Synonyms	Momordic acid
IUPAC Name	(4aS,6aS,6aS,6bR,8aS,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Molecular Weight	470.68
Molecular Formula	C30H46O4
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(=O)C[C@@H](C3(C)C)O)C
InChI	InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1
InChI Key	IZWBODJDDBCDFA-DXEZAUPJSA-N
Boiling Point	583.4±50.0 °C
Melting Point	274-276 °C
Purity	98%
Density	1.14±0.1 g/ml
pKa	4.63±0.70
Appearance	Solid