Cholan-24-oic acid, 3,7-dihydroxy-, potassium salt (1:1), (3α,5β,7α)-

CAS Registry Number®

24404-86-2
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CAS Name

Cholan-24-oic acid, 3,7-dihydroxy-, potassium salt (1:1), (3α,5β,7α)-

Molecular Formula

C24H40O4.K

Cite this Page

Cholan-24-oic acid, 3,7-dihydroxy-, potassium salt (1:1), (3α,5β,7α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24404-86-2 (retrieved 2024-09-19) (CAS RN: 24404-86-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O4.K/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;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;/m1./s1

InChIKey

InChIKey=MQNGZLSNDOGSSQ-OICFXQLMSA-N

SMILES

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

Canonical SMILES

[K].O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7-dihydroxy-, potassium salt (1:1), (3α,5β,7α)-
  • 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-, monopotassium salt
  • Cholan-24-oic acid, 3,7-dihydroxy-, monopotassium salt, (3α,5β,7α)-
  • Potassium chenodeoxycholate