Cholestan-3-one

Basic Information

Cholestan-3-one

CAS Number

15600-08-5

Molecular Formula

C27H46O

Molecular Weight

386.664 g/mol

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Basic Physical Properties

Melting Point

129°C

Boiling Point

452.8°C (rough estimate)

Flash Point

219.3 °C

Refractive Index

1.5250 (estimate)

SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C

InChI

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

InChIKey

PESKGJQREUXSRR-UHFFFAOYSA-N

LogP

7.676800000000009

Topological Polar Surface Area

17.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

579

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Synonyms & References

English

  • PESKGJQREUXSRR-ZTPZMMAUSA-N
  • 15600-08-5
  • Cholestan-3-one
  • cholestane-3-one
  • 3-Oxocholestane
  • CHEBI:167166
  • 3-cholestanon
  • DTXSID301021018
  • NSC-179403
  • 5-beta-Cholestan-3-one
  • SCHEMBL643015
  • 3-ketocholestane
  • (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
  • Coprostanone
  • 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

CAS Number

15600-08-5

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