18-Olean-9(11),12-diene-3,30-diol dihemiphthalate

2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid

Also Known As: ODDDH|18-Olean-9(11),12-diene-3,30-diol dihemiphthalate|2-[[(2S,4aS,6aR,6bS,8aR,12aS,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid|2,2'-[Oleana-9(11),12-diene-3,29-diylbis(oxycarbonyl)]dibenzoic acid|2,2'-[Oleana-9(11),12-diene-3,30-diylbis(oxycarbonyl)]dibenzoic acid|Oleana-9(11),12-diene-3,29-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-|Oleana-9(11),12-diene-3,29-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	102416-28-4
SMILES	C[C@]12CC[C@](C[C@H]1C3=CC=C4[C@]5(CCC(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	OVUWHPVLTCHBKS-YOOADNSVSA-N