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Substance Name: 3,7-Dihydroxycholane-24-sulfonate
RN: 130593-74-7
InChIKey: XTWQOSYEUVHDIT-CQRHUGCQSA-M

Molecular Formula

  • C24-H42-O5-S.Na

Molecular Weight

  • 464.6389
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxycholane-24-sulfonate

Synonyms

  • 3alpha,7alpha-Dihydroxy-5beta-cholane-24-sulfonate
  • 3alpha,7beta-Dihydroxy-5beta-cholane-24-sulfonate
  • Chenodeoxycholic acid 24-sulfonate
  • DCSF
  • Udc-SO3Na

Systematic Name

  • Cholane-24-sulfonic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 130593-74-7

System Generated Number

  • 0130593747

Molecular Formulas

Molecular Formula

  • C24-H42-O5-S.Na

Molecular Formula Fragments

  • C24-H42-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H42O5S.Na/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26;/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-;/m1./s1

InChIKey

XTWQOSYEUVHDIT-CQRHUGCQSA-M

Smiles

C[C@H](CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]