glycyrrhetinic acid 3-O-hemiphthalate

disodium;(2R,4aS,6aS,6bR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Also Known As: GAHPh|Glycyrrhetinic acid 3-O-hemiphthalate|Olean-12-en-29-|glycyrrhetinic acid hemiphthalate|Glycyrrhetinic acid monohemiphthalate disodium|Glycyrrhetinic acid 3-O-hemiphthalate disodium|1-methyl-4,5-dibromopyrrole-2-carboxylic acid|disodium;(2R,4aS,6aS,6bR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate|Disodium 3-[(2-carboxylatobenzoyl)oxy]-11-oxoolean-12-en-29-oate|disodium(3|A,5xi,9xi,18|A)-3-[(2-carboxylatobenzoyl)oxy]-11-oxoolean-12-en-29-oate|Disodium (5xi,9xi)-3beta-[(2-carboxylatobenzoyl)oxy]-11-oxo-18alpha-olean-12-en-29-oate|disodium (2R,4aS,6aS,6bR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate

Molecular Formula	C38H48Na2O7
Molecular Weight	662.3195 g/mol
LogP	-0.6859
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	662.3195
Monoisotopic Mass	662.3195
Heavy Atoms	47
Complexity	1320.0

Chemical Identifiers

CAS Number	66067-20-7
SMILES	C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+]
InChIKey	INOXKZRJJCCHEM-AONLVFIFSA-L