Cas no 601-53-6 (5b-Cholestan-3-one)

5b-Cholestan-3-one structure
5b-Cholestan-3-one structure
Product Name:5b-Cholestan-3-one
CAS No:601-53-6
MF:C27H46O
MW:386.653548717499
CID:503198
PubChem ID:92132
Update Time:2025-04-19

5b-Cholestan-3-one Chemical and Physical Properties

Names and Identifiers

    • (5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    • 5?(H)-Cholestan-3-one
    • 5β-Cholestan-3-one
    • 5B-Cholestan-3-one
    • 5beta Cholestanone
    • 5beta-Cholestan-3-one
    • cholestan-3-one
    • Coprostan-3-one
    • coprostanone
    • 5beta-cholestanone
    • 3-Keto-5beta-cholestane
    • H6B6EPA52O
    • Cholestan-3-one, (5b)-
    • beta-cholestan-3-one
    • (5b)-Coprostan-3-one
    • Cholestan-3-one, (5beta)-
    • LMST0101020
    • 5.BETA.-CHOLESTANONE
    • CHEBI:16074
    • NSC 119031
    • 601-53-6
    • .BETA.-CHOLESTANONE
    • EINECS 210-003-0
    • CHEMBL69851
    • SCHEMBL3034745
    • UNII-H6B6EPA52O
    • (5.BETA.,17.BETA.)-17-OCTYLANDROSTAN-3-ONE
    • C03091
    • Q27098364
    • DTXSID50862211
    • 3-COPROSTANONE
    • NSC-119031
    • 5.beta.-Cholestan-3-one
    • 5.BETA.-COPROSTAN-3-ONE
    • LMST01010205
    • 5b-Cholestan-3-one
    • Inchi： 1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
    • InChI Key： PESKGJQREUXSRR-JDIFZLMISA-N
    • SMILES： O=C1CC[C@@]2(C)[C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 386.35500
  • Monoisotopic Mass: 386.354866087g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 579
  • 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: 17.1

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: 60 - 63°C
  • Boiling Point: 452.9±13.0 °C at 760 mmHg
  • Flash Point: 219.3±12.1 °C
  • Solubility: Chloroform (Slightly)
  • PSA: 17.07000
  • LogP: 7.67680
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

5b-Cholestan-3-one Security Information

5b-Cholestan-3-one Pricemore >>

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