Cas no 19633-95-5 (Cholesta-5,7,22-trien-3-ol,(3b)-)

Cholesta-5,7,22-trien-3-ol,(3b)- structure
19633-95-5 structure
Product Name:Cholesta-5,7,22-trien-3-ol,(3b)-
CAS No:19633-95-5
MF:C27H42O
MW:382.62178850174
CID:174047
PubChem ID:6440961
Update Time:2025-04-19

Cholesta-5,7,22-trien-3-ol,(3b)- Chemical and Physical Properties

Names and Identifiers

    • Cholesta-5,7,22-trien-3-ol,(3b)-
    • (3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 5,7,22-cholestatrien-3beta-ol
    • (3beta,22E)-cholesta-5,7,22-trien-3-ol
    • Cholesta-5,7,22-trien-3-ol, (3beta)-
    • delta-5,7,22-Cholestatrien-3beta-ol
    • 7,22-Bisdehydrocholesterol
    • Cholesta-5,7,22-trien-3β-ol
    • 7,8,22,23-Tetradehydrocholesterol
    • SCHEMBL10969269
    • 19633-95-5
    • Inchi： 1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8-10,18-19,21,23-25,28H,7,11-17H2,1-5H3/b8-6+/t19-,21+,23-,24+,25+,26+,27-/m1/s1
    • InChI Key： RQOCXCFLRBRBCS-LNOGQBHPSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@H](/C=C/CC(C)C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 382.323566
  • Monoisotopic Mass: 382.323566
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 682
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • XLogP3: 7.1

Experimental Properties

  • Density: 1.01
  • Boiling Point: 493.2°Cat760mmHg
  • Flash Point: 211.4°C
  • Refractive Index: 1.546

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