Cas no 559-64-8 (Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)-)

Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)- structure
559-64-8 structure
Product Name:Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)-
CAS No:559-64-8
MF:C30H48O4
MW:472.699729919434
CID:367496
PubChem ID:12443148
Update Time:2025-04-19

Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)- Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)-
    • (4aS,6aR,6aS,6bR,8R,8aR,10S,12aR,14bS)-8,10-dihydroxy-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
    • 3BETA-6BETA-DIHYDROXY OLEAN-12-EN-28-OIC ACID
    • SUMARESINOLIC ACID 0.98
    • 6beta-hydroxy-oleanolic acid
    • Sumaresinol
    • Sumaresinolic acid
    • Sumaresinolsaeure
    • UNII-ZLX0T88D9C
    • CHEBI:80906
    • 3.BETA.,6.BETA.-DIHYDROXYOLEAN-12-EN-28-OIC ACID
    • 559-64-8
    • Q27151405
    • OLEAN-12-EN-28-OIC ACID, 3.BETA.,6.BETA.-DIHYDROXY-
    • DTXSID10204491
    • MFCD04973038
    • SCHEMBL12447712
    • CHEMBL486807
    • Olean-12-en-28-oic acid, 3,6-dihydroxy-, (3.beta.,6.beta.)-
    • disodium5-(acetylamino)-4-hydroxy-3-[(o-tolyl)azo]naphthalene-2,7-disulphonate
    • C17070
    • ZLX0T88D9C
    • 3beta,6beta-dihydroxy-olean-12-en-28-oic acid
    • AKOS040759521
    • Inchi: 1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-21-27(5)11-10-22(32)26(3,4)23(27)20(31)17-29(21,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21+,22-,23-,27+,28+,29+,30-/m0/s1
    • InChI Key: KLHSKTMVSOWVLD-WPDRYGPBSA-N
    • SMILES: O[C@@H]1C[C@@]2(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]2[C@@]2(C)CC[C@@H](C(C)(C)[C@@H]21)O

Computed Properties

  • Exact Mass: 472.35500
  • Monoisotopic Mass: 472.35526001g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 1
  • Complexity: 919
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.1
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Melting Point: 285-289°C
  • PSA: 77.76000
  • LogP: 6.20440

Olean-12-en-28-oicacid, 3,6-dihydroxy-, (3b,6b)- Pricemore >>

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