Cas no 107660-10-6 (3-beta-Hydroxy-olean-12-en-28-oic acid butyrate)

3-beta-Hydroxy-olean-12-en-28-oic acid butyrate structure
107660-10-6 structure
Product Name:3-beta-Hydroxy-olean-12-en-28-oic acid butyrate
CAS No:107660-10-6
MF:C34H54O4
MW:526.790171146393
CID:62691
PubChem ID:86577531
Update Time:2025-04-18

3-beta-Hydroxy-olean-12-en-28-oic acid butyrate Chemical and Physical Properties

Names and Identifiers

    • 3-beta-Hydroxy-olean-12-en-28-oic acid butyrate
    • 3β-Hydroxy-olean-12-en-28-oic acid butyrate
    • (3β)-3-(Butyryloxy)olean-12-en-28-oic acid
    • Olean-12-en-28-oicacid, 3b-hydroxy-, butyrate (7CI)
    • CHEMBL4163502
    • (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-butanoyloxy-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
    • 107660-10-6
    • Inchi： 1S/C34H54O4/c1-9-10-27(35)38-26-14-15-31(6)24(30(26,4)5)13-16-33(8)25(31)12-11-22-23-21-29(2,3)17-19-34(23,28(36)37)20-18-32(22,33)7/h11,23-26H,9-10,12-21H2,1-8H3,(H,36,37)/t23-,24-,25+,26-,31-,32+,33+,34-/m0/s1
    • InChI Key： DMPHLXCNYAYZNW-VBIFBOFQSA-N
    • SMILES： O(C(CCC)=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: 526.40221020g/mol
  • Monoisotopic Mass: 526.40221020g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 5
  • Complexity: 1020
  • 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: 8.9
  • Topological Polar Surface Area: 63.6?2

Experimental Properties

  • Density: 1.08
  • Boiling Point: 586.6 °C at 760 mmHg
  • Flash Point: 174.3 °C
  • Refractive Index: 1.541
  • PSA: 63.60000
  • LogP: 8.58460

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