Deoxoglycyrrhetol dihemiphthalate

2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid

Also Known As: DGDH|Deoxoglycyrrhetol dihemiphthalate|deoxoglycyrrhetol 3|A,30-dihemiphthalate|18-Olean-12-ene-3,30-diol dihemiphthalate|10H-Phenothiazin-3-ol,10-[3-(dimethylamino)-2-methylpropyl]|2,2'-[Olean-12-ene-3,29-diylbis(oxycarbonyl)]dibenzoic acid|2,2'-[olean-12-ene-3,30-diylbis(oxycarbonyl)]dibenzoic acid|2-[[(2S,4aS,6aR,6aS,6bR,8aR,12aR,14bR)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-2-yl]methoxycarbonyl]benzoic acid|Olean-12-ene-3,29-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-

Molecular Formula	C46H58O8
Molecular Weight	738.41315 g/mol
LogP	11.1
Topological Polar Surface Area	127.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	738.41315
Monoisotopic Mass	738.41315
Heavy Atoms	54
Complexity	1550.0

Chemical Identifiers

CAS Number	102416-27-3
SMILES	C[C@]12CC[C@](C[C@H]1C3=CC[C@@H]4[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	GFCQDXRBTQVNJC-OTGCZYGJSA-N