Cas no 15600-08-5 (Coprostanone)

Coprostanone structure
Coprostanone structure
Product Name:Coprostanone
CAS No:15600-08-5
MF:C27H46O
MW:386.653548717499
CID:182443
PubChem ID:10883573
Update Time:2025-04-19

Coprostanone Chemical and Physical Properties

Names and Identifiers

    • Coprostanone
    • 3-Oxocholestane
    • 5-A-CHOLESTAN-3-ONE
    • 5ALPHA-CHOLESTAN-3-ONE, 97
    • (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
    • 17-Oxo-5alpha-androstane
    • 5A-ANDROSTAN-17-ONE
    • 5A-ANDROSTANONE
    • Androstan-17-one
    • ANDROSTAN-17-ONE, 5A-
    • cholestan-3-one
    • 15600-08-5
    • 3-cholestanon
    • CHEBI:167166
    • PESKGJQREUXSRR-ZTPZMMAUSA-N
    • DTXSID301021018
    • 5-beta-Cholestan-3-one
    • (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
    • SCHEMBL643015
    • cholestane-3-one
    • 3-ketocholestane
    • NSC-179403
    • 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-ZTPZMMAUSA-N
    • SMILES： O=C1CC[C@@]2(C)C(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: 386.35508
  • Monoisotopic Mass: 386.355
  • 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: 0
  • Undefined Atom Stereocenter Count : 8
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 8.9
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Not available
  • Density: 0.9610 (rough estimate)
  • Melting Point: 129°C
  • Boiling Point: 452.8°C (rough estimate)
  • Flash Point: 219.3 °C
  • Refractive Index: 1.5250 (estimate)
  • PSA: 17.07
  • LogP: 7.67680
  • Solubility: Not available

Coprostanone Related Literature

  • 1. 1140. The methylation of 3-oxo-B-norcholestanes
    Y. M. Y. Haddad,W. T. Pike,G. H. R. Summers,W. Klyne J. Chem. Soc. 1965 6117
  • 2. 704. Steroids. Part XVI. The bromination of some 3-ketosteroids methylated in ring-A
    C. W. Shoppee,G. A. R. Johnston,Ruth E. Lack J. Chem. Soc. 1962 3604
  • 3. 430. Steroids. Part XV. The tribromination of 5α-cholestan-3-one
    C. W. Shoppee,Ruth E. Lack,Janice Scott J. Chem. Soc. 1962 2233
  • 4. Photoinduced molecular transformations. Part 134. Photoinduced stereospecific addition of methanol to 5β-cholest-1-en-3-one oxime and photoinduced deconjugation of its 1-methyl derivative involving stereospecific proton transfer
    Hiroshi Suginome,Atsushi Nagaoka,Hisanori Senboku J. Chem. Soc. Perkin Trans. 1 1992 3103
  • 5. Photoinduced transformations. Part 41. Photo-Beckmann rearrangement of some cholestan-3-one oximes with methyl groups attached to the α-carbon
    Hiroshi Suginome,Yukoh Takahashi J. Chem. Soc. Perkin Trans. 1 1979 2920

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