Sulfolithocholic acid

CAS Registry Number®

34669-57-3

CAS Name

Sulfolithocholic acid

Molecular Formula

C24H40O6S

Molecular Mass

456.64

Cite this Page

Sulfolithocholic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34669-57-3 (retrieved 2024-11-27) (CAS RN: 34669-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=AXDXVEYHEODSPN-HVATVPOCSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholan-24-oic acid, 3-(sulfooxy)-, (3α,5β)-
  • (3α,5β)-3-(Sulfooxy)cholan-24-oic acid
  • Lithocholic acid 3α-sulfate
  • Sulfolithocholic acid
  • 3α-Sulfate-5β-cholan-24-oic acid

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Deleted or Replaced CAS Registry Numbers

63142-54-1

CAS INSIGHTSTM
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