7-Ketocholesterol

CAS Registry Number®

566-28-9

CAS Name

7-Ketocholesterol

Molecular Formula

C27H44O2

Molecular Mass

400.64

Cite this Page

7-Ketocholesterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=566-28-9 (retrieved 2024-11-24) (CAS RN: 566-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    163-164 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1

InChIKey

InChIKey=YIKKMWSQVKJCOP-ABXCMAEBSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3=O)C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

O=C1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCCC(C)C

Other Names for this Substance

  • Cholest-5-en-7-one, 3-hydroxy-, (3β)-
  • Cholest-5-en-7-one, 3β-hydroxy-
  • (3β)-3-Hydroxycholest-5-en-7-one
  • 3β-Hydroxycholest-5-en-7-one
  • Cholest-5-en-3β-ol-7-one

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Deleted or Replaced CAS Registry Numbers

118984-45-5

CAS INSIGHTSTM
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