Cas no 6277-14-1 (Olean-12-en-29-oicacid, 3-(acetyloxy)-11-oxo-, (3b,20b)-)

Olean-12-en-29-oicacid, 3-(acetyloxy)-11-oxo-, (3b,20b)- structure
6277-14-1 structure
Product Name:Olean-12-en-29-oicacid, 3-(acetyloxy)-11-oxo-, (3b,20b)-
CAS No:6277-14-1
MF:C32H48O5
MW:512.720530509949
CID:504413
PubChem ID:94320
Update Time:2025-04-19

Olean-12-en-29-oicacid, 3-(acetyloxy)-11-oxo-, (3b,20b)- Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-29-oicacid, 3-(acetyloxy)-11-oxo-, (3b,20b)-
    • (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    • 3-O-acetyl glycyrrhetinic acid
    • acetoxolone
    • Acetylglycyrrhetic acid
    • Acetylglycyrrhetinic acid
    • EINECS 228-475-1
    • Glycyrrhetic acid acetate
    • Glycyrrhetinic acid acetate
    • Glycyrrhetinyl acetate
    • Oriens
    • (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    • DGS-0110A
    • (3-beta,20-beta)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid
    • 3.BETA.-HYDROXY-11-OXOOLEAN-12-EN-30-OIC ACID ACETATE
    • DGS 0110A
    • (3beta,20beta)-3-Acetoxy-11-oxoolean-12-en-29-oic acid
    • Q4673282
    • NSC 35349
    • Olean-12-en-30-oic acid, 3-.beta.-hydroxy-11-oxo-, acetate
    • ACETOXOLONE [WHO-DD]
    • (3.BETA.,20.BETA.)-3-(ACETYLOXY)-11-OXOOLEAN-12-EN-29-OIC ACID
    • 6277-14-1
    • UNII-CWW961Q19K
    • CWW961Q19K
    • SCHEMBL135617
    • Olean-12-en-29-oic acid, 3-(acetyloxy)-11-oxo-, (3-beta,20-beta)-
    • AKOS016036176
    • CHEBI:81306
    • NSC35349
    • 3-O-ACETYL-18.BETA.-GLYCYRRHETIC ACID
    • C17734
    • (3beta,18beta,20beta)-3-(Acetyloxy)-11-oxo-olean-12-en-29-oic acid
    • Uralenic acid, acetate
    • DB13640
    • DTXSID801031583
    • Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, acetate
    • OLEAN-12-EN-29-OIC ACID, 3-(ACETYLOXY)-11-OXO-, (3.BETA.,20.BETA.)-
    • ACETOXOLONE [MI]
    • 3-Acetyl-18-beta-glycyrrhetinic acid
    • 10-acetyloxy-2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
    • BDBM50188385
    • NSC-35349
    • CHEMBL207413
    • (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
    • 3-(Acetyloxy)-11-oxoolean-12-en-29-Oate
    • FTQDJVZNPJRVPG-XWEVEMRCSA-N
    • Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, acetate (7CI,8CI)
    • OLEAN-12-EN-29-OIC ACID, 3-(ACETYLOXY)-11-OXO-, (3BETA,20BETA)-
    • 3-O-ACETYL-18BETA-GLYCYRRHETIC ACID
    • (3BETA,20BETA)-3-(ACETYLOXY)-11-OXOOLEAN-12-EN-29-OIC ACID
    • 10-(Acetyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
    • acetylglycyrrhetate
    • 3BETA-HYDROXY-11-OXOOLEAN-12-EN-30-OIC ACID ACETATE
    • Inchi： 1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
    • InChI Key： FTQDJVZNPJRVPG-XWEVEMRCSA-N
    • SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O

Computed Properties

  • Exact Mass: 512.35000
  • Monoisotopic Mass: 512.35017463g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 3
  • Complexity: 1070
  • 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: 7
  • Topological Polar Surface Area: 80.7?2

Experimental Properties

  • Melting Point: 322-325°
  • PSA: 80.67000
  • LogP: 6.98340
  • Specific Rotation: D20 +141°

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