Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt

2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid

Also Known As: ODDD|J1.029.118F|Olean-11,13(18)-diene-3,30-diol-3,30-di-2-hemiphthalate|2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid|Olean-11,13(18)-diene-3,30-diol dihemiphthalate|Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt|2,2'-[Oleana-11,13(18)-diene-3,29-diylbis(oxycarbonyl)]dibenzoic acid|Oleana-11,13(18)-diene-3beta,30-diol bis[2-(hydroxycarbonyl)benzoate]|2,2'-[3beta-Oleana-11,13(18)-diene-3,30-diylbis(oxycarbonyl)]dibenzoic acid|2-({[(2S,4AS,6AS,6BR,8AR,10S,12AS,12BR)-10-(2-CARBOXYBENZOYLOXY)-2,4A,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B-OCTADECAHYDROPICEN-2-YL]METHOXY}CARBONYL)BENZOIC ACID|Oleana-11,13(18)-diene-3,20-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-

Molecular Formula	C46H56O8
Molecular Weight	736.3975 g/mol
LogP	10.8
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	736.3975
Monoisotopic Mass	736.3975
Heavy Atoms	54
Complexity	1610.0

Chemical Identifiers

CAS Number	102416-29-5
SMILES	C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O
InChIKey	AKEMIRQFANFFKU-NCYRAAIKSA-N