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Cholestan-3-one

Cholestan-3-one structure

Cholestan-3-one 

structure
  • CAS No:

    15600-08-5

  • Formula:

    C27H46O

  • Chemical Name:

    Cholestan-3-one

  • Synonyms:

    Cholestan-3-one;3-Oxocholestane;NSC 179403;693245-22-6

Cholestan-3-one Basic Attributes

386.65

386.65

239-682-1

11920|179403|119031

Characteristics

17.1 Ų

0.9610

126-127 °C

452.8°C (rough estimate)

1.5250 (estimate)

187.2 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Drug Information

5-alpha-cholestan-3-one

Computed Properties

Molecular Weight:386.7
XLogP3:8.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:386.354866087
Monoisotopic Mass:386.354866087
Topological Polar Surface Area:17.1
Heavy Atom Count:28
Complexity:579
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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