Sulfolithocholic acid
CAS Registry Number®
34669-57-3
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CAS Name
Sulfolithocholic acidMolecular Formula
C24H40O6SMolecular Mass
456.64Cite 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 ) (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
Deleted or Replaced CAS Registry Numbers
63142-54-1
