Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5β)-

CAS Registry Number®

7786-84-7

CAS Name

Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5β)-

Molecular Formula

C24H34O5.1/2Mg

Cite this Page

Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7786-84-7 (retrieved 2024-11-22) (CAS RN: 7786-84-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H34O5.Mg/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1

InChIKey

InChIKey=JFNFYJFOUFIJLP-CAOXKPNISA-N

SMILES

O=C1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H].[Mg]

Canonical SMILES

[Mg].O=C(O)CCC(C)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C21C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7,12-trioxo-, magnesium salt, (5β)-
  • Magnesium dehydrocholate

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