Sodium hyodeoxycholate

CAS Registry Number®

10421-49-5
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CAS Name

Sodium hyodeoxycholate

Molecular Formula

C24H40O4.Na

Cite this Page

Sodium hyodeoxycholate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10421-49-5 (retrieved 2024-05-05) (CAS RN: 10421-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O4.Na/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-;/m1./s1

InChIKey

InChIKey=RRIXLUAYOPCUCW-ADQIWYCWSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(C[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H].[Na]

Canonical SMILES

[Na].O=C(O)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,6-dihydroxy-, sodium salt (1:1), (3α,5β,6α)-
  • Cholan-24-oic acid, 3,6-dihydroxy-, monosodium salt, (3α,5β,6α)-
  • 5β-Cholan-24-oic acid, 3α,6α-dihydroxy-, monosodium salt
  • Sodium hyodeoxycholate
  • Sodium hyodesoxycholate

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