Cas no 131177-50-9 (Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI))

Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI) structure
131177-50-9 structure
Product Name:Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI)
CAS No:131177-50-9
MF:C30H48O5
MW:488.699130058289
CID:162584
PubChem ID:131346
Update Time:2025-04-19

Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI)
    • (2S,3R,4aS,6aR,6aS,6bR,9S,10S,12aR,14bS)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
    • glyyunnansapogenin B
    • (3beta,5xi,18alpha,21alpha)-3,21,24-trihydroxyolean-12-en-29-oic acid
    • 3beta,21alpha,24-Trihydroxyolean-12-en-30-oic acid
    • Olean-12-en-29-oic acid, 3,21,23-trihydroxy-, (3beta,4beta,20beta,21alpha)-
    • DTXSID00927107
    • CHEBI:173141
    • 131177-50-9
    • 3,21,23-Trihydroxyolean-12-en-29-oic acid
    • 3 beta,21 alpha,24-trihydroxyolean-12-en-30-oic acid
    • Inchi： 1S/C30H48O5/c1-25-13-14-29(5)18(19(25)15-27(3,24(34)35)23(33)16-25)7-8-21-26(2)11-10-22(32)28(4,17-31)20(26)9-12-30(21,29)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20?,21-,22+,23-,25+,26+,27+,28-,29-,30-/m1/s1
    • InChI Key： ZXWLSOQCDSAYHO-CXPCWDADSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)C([C@@]1(C)CO)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)C[C@H]([C@](C(=O)O)(C)C[C@@H]4C3=CC[C@@H]12)O

Computed Properties

  • Exact Mass: 488.350175
  • Monoisotopic Mass: 488.350175
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 945
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98
  • XLogP3: 6.2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 620.6°Cat760mmHg
  • Flash Point: 343.1°C
  • Refractive Index: 1.58

Olean-12-en-29-oicacid, 3,21,23-trihydroxy-, (3b,4b,20b,21a)- (9CI) Related Literature

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