Cas no 38788-81-7 (24-Dimethylchola-5,22-dien-3beta-ol)

24-Dimethylchola-5,22-dien-3beta-ol structure
38788-81-7 structure
Product Name:24-Dimethylchola-5,22-dien-3beta-ol
CAS No:38788-81-7
MF:C26H42O
MW:370.611088275909
CID:2033611
PubChem ID:15599441
Update Time:2025-04-21

24-Dimethylchola-5,22-dien-3beta-ol Chemical and Physical Properties

Names and Identifiers

    • 24-Dimethylchola-5,22-dien-3beta-ol
    • (22E)-24,24-Dimethylchola-5,22-dien-3β-ol
    • 24-Norcholesta-5,22-dien-3beta-ol
    • LMST01031050
    • 38788-81-7
    • 22-trans-24-Norcholesta-5,22-dien-3beta-ol
    • 24-nor-cholest-5,22E-dien-3beta-ol
    • DTXSID801279896
    • SCHEMBL21231098
    • 22-trans-24-Norcholesta-5,22-dien-3I(2)-ol
    • Inchi: 1S/C26H42O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-8,17-18,20-24,27H,9-16H2,1-5H3/b7-6+/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
    • InChI Key: BKWBRNDZAJHCMT-LMLIWZCBSA-N
    • SMILES: O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](/C=C/C(C)C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 370.323565959g/mol
  • Monoisotopic Mass: 370.323565959g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 3
  • Complexity: 616
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 7.4
  • Topological Polar Surface Area: 20.2?2
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