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Home > Encyclopedia > 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

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

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 structure

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 

structure
  • CAS No:

    102416-29-5

  • Formula:

    C46H56O8

  • Chemical Name:

    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

  • Synonyms:

    ODDD;olean-11,13(18)-diene-3,30-diol dihemiphthalate;olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt;olean-11,13(18)-diene-3,30-diol-3,30-di-2-hemiphthalate;102416-29-5;ODDD;DTXSID80907487;Olean-11,13(18)-diene-3,30-diol-3,30-di-2-hemiphthalate;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;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];Oleana-11,13(18)-diene-3,20-diol, bis(hydrogen 1,2-benzenedicarboxylate), (3beta,20beta)-

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 Basic Attributes

736.9 g/mol

736.39751874 g/mol

Characteristics

127 Ų

Drug Information

ODDD

Computed Properties

Molecular Weight:736.9
XLogP3:10.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:736.39751874
Monoisotopic Mass:736.39751874
Topological Polar Surface Area:127
Heavy Atom Count:54
Complexity:1610
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 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

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