Cas no 4847-30-7 (Succinyl oleanolic acid)

Succinyl oleanolic acid structure
Succinyl oleanolic acid structure
Product Name:Succinyl oleanolic acid
CAS No:4847-30-7
MF:C34H52O6
MW:556.773091316223
CID:45362
PubChem ID:10721544
Update Time:2025-04-18

Succinyl oleanolic acid Chemical and Physical Properties

Names and Identifiers

    • Succinyl oleanolic acid
    • (3beta)-3-(3-Carboxy-1-oxopropoxy)-olean-12-en-28-oic acid
    • 3-(3-carboxypropanoyloxy)-oleanolic acid
    • Oleanolic acid 3-O-succinate
    • 4847-30-7
    • BDBM50246739
    • (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(4-hydroxy-4-oxo-butanoyl)oxy-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
    • CHEMBL446073
    • (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-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,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(3-carboxypropanoyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
    • Inchi: 1S/C34H52O6/c1-29(2)16-18-34(28(38)39)19-17-32(6)21(22(34)20-29)8-9-24-31(5)14-13-25(40-27(37)11-10-26(35)36)30(3,4)23(31)12-15-33(24,32)7/h8,22-25H,9-20H2,1-7H3,(H,35,36)(H,38,39)/t22-,23-,24+,25-,31-,32+,33+,34-/m0/s1
    • InChI Key: ZLVQQEYNCCJVLQ-VGBCDPHKSA-N
    • SMILES: O(C(CCC(=O)O)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12

Computed Properties

  • Exact Mass: 556.37638937g/mol
  • Monoisotopic Mass: 556.37638937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 6
  • Complexity: 1120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.5
  • Topological Polar Surface Area: 101?2

Succinyl oleanolic acid Related Literature

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