(5β)-3,12-Dioxocholan-24-oic acid

CAS Registry Number®

2958-05-6

CAS Name

(5β)-3,12-Dioxocholan-24-oic acid

Molecular Formula

C24H36O4

Molecular Mass

388.54

Cite this Page

(5β)-3,12-Dioxocholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2958-05-6 (retrieved 2024-11-22) (CAS RN: 2958-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    115 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,23+,24-/m1/s1

InChIKey

InChIKey=XNTYYYINMGRBQW-ZEZONBOOSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,12-dioxo-, (5β)-
  • 5β-Cholan-24-oic acid, 3,12-dioxo-
  • 5β-Cholanic acid, 3,12-dioxo-
  • (5β)-3,12-Dioxocholan-24-oic acid
  • Dehydrodeoxycholic acid

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CAS INSIGHTSTM
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