Cas no 71496-99-6 (Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI))

Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI) structure
71496-99-6 structure
Product Name:Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI)
CAS No:71496-99-6
MF:C29H46O3
MW:442.673749446869
CID:579165
PubChem ID:287666
Update Time:2025-04-19

Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI)
    • [(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
    • 7-ketocholesterol acetate
    • 7-ketocholesteryl acetate
    • 7-keto-cholesteryl acetate
    • 7-Oxo Cholesterol 3-Acetate
    • 7-Oxocholesterol acetate
    • 7-oxo-cholesteryl acetate
    • NSC147728
    • DTXSID30991937
    • 7-Oxocholest-5-en-3-yl acetate
    • 7-Oxocholest-5-en-3-beta-yl acetate
    • SCHEMBL14599124
    • AKOS004903960
    • FT-0673426
    • 71496-99-6
    • NSC-147728
    • Inchi： 1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3
    • InChI Key： PMBSWZWCNKVWLV-UHFFFAOYSA-N
    • SMILES： O=C1C=C2CC(CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21)OC(C)=O

Computed Properties

  • Exact Mass: 442.34488
  • Monoisotopic Mass: 442.34469533g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 766
  • 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
  • XLogP3: 8.1
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
  • LogP: 7.13850

Cholest-5-en-7-one,3-(acetyloxy)-, (3a)- (9CI) Related Literature

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