7-Ketolithocholic acid

CAS Registry Number®

4651-67-6

CAS Name

7-Ketolithocholic acid

Molecular Formula

C24H38O4

Molecular Mass

390.56

Cite this Page

7-Ketolithocholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4651-67-6 (retrieved 2024-11-22) (CAS RN: 4651-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202-203 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,22+,23+,24-/m1/s1

InChIKey

InChIKey=DXOCDBGWDZAYRQ-AURDAFMXSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3-hydroxy-7-oxo-, (3α,5β)-
  • 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-
  • 5β-Cholanic acid, 3α-hydroxy-7-oxo-
  • (3α,5β)-3-Hydroxy-7-oxocholan-24-oic acid
  • 3α-Hydroxy-7-oxo-5β-cholanoic acid

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Deleted or Replaced CAS Registry Numbers

98646-38-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration