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ScientificNameLabel
Oleanolic acid
PHCD compound ID : 1200
Chemical Names :
Oleanolic acid
Molecular Formula : C30H48O3
Molecular Weight : 456.360345
More Details :
Names & Synonyms: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Smiles: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C
InChi : InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChi Key : InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-N
PubChem ID : 10494
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 3 Ionization potential : 9.101140
Hydrogen bond donor count : 2 Electric dipole moment : 3.357
XLogP : 9.052 VDW volume : 486.751467
Molecular weight : 456.360345 HOMO-LUMO gap : 10.266000
Herb list :
Refrences & Litretures:
  
122.      Journal:'Antiviral Research'      Year:'2002'      Volume:'55'      Page:'53'      DOI:''      Title:'Antiviral activity of Plantago major extracts and related compounds in vitro'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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