Cas no 566-93-8 (Cholesta-4,6-dien-3-one)

Cholesta-4,6-dien-3-one structure
Cholesta-4,6-dien-3-one structure
Product Name:Cholesta-4,6-dien-3-one
CAS No:566-93-8
MF:C27H42O
MW:382.62178850174
CID:372892
PubChem ID:3034666
Update Time:2025-04-19

Cholesta-4,6-dien-3-one Chemical and Physical Properties

Names and Identifiers

    • Cholesta-4,6-dien-3-one
    • 4,6-CHOLESTADIEN-3-ONE
    • 3-KETO-4,6-CHOLESTADIENE
    • 4,6-Cholestadiene-3-one
    • 6-DEHYDROCHOLESTENONE
    • cholest-4,6-dien-3-one
    • cholest-4,6-diene-3-one
    • Cholesta-4,6-dien-3-on
    • Cholestadien-(4.6)-on-(3)
    • SCHEMBL1176920
    • cholesta-4,6-diene-3-one
    • 566-93-8
    • DTXSID10862212
    • CHEMBL68121
    • CHEBI:157665
    • NSC 119073
    • LMST01010059
    • AKOS027383675
    • (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
    • NS00043317
    • XIWMRKFKSRYSIJ-GYKMGIIDSA-N
    • 4,6-cholestadienone
    • EINECS 209-299-4
    • 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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
    • InChI Key： XIWMRKFKSRYSIJ-GYKMGIIDSA-N
    • SMILES： O=C1C=C2C=C[C@@H]3[C@@H]([C@@]2(C)CC1)CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]13

Computed Properties

  • Exact Mass: 382.32400
  • Monoisotopic Mass: 382.323565959g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 5
  • Complexity: 670
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Melting Point: 55-60°C
  • Boiling Point: 494.0±12.0 °C at 760 mmHg
  • Flash Point: 250.7±10.4 °C
  • Solubility: Chloroform (Slightly), Methanol (Slightly)
  • PSA: 17.07000
  • LogP: 7.37290
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

Cholesta-4,6-dien-3-one Security Information

Cholesta-4,6-dien-3-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
C431420-2.5mg
Cholesta-4,6-dien-3-one
 566-93-8
2.5mg
 $ 184.00 2023-09-08
TRC
C431420-25mg
Cholesta-4,6-dien-3-one
 566-93-8
25mg
 $ 1453.00 2023-09-08
A2B Chem LLC
AG69990-2.5mg
4,6-CHOLESTADIEN-3-ONE
 566-93-8
2.5mg
 $300.00 2024-04-19
A2B Chem LLC
AG69990-25mg
4,6-CHOLESTADIEN-3-ONE
 566-93-8
25mg
 $1532.00 2024-04-19

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