Deoxycholic acid 3-sulfate

CAS Registry Number®

67030-48-2

CAS Name

Deoxycholic acid 3-sulfate

Molecular Formula

C24H40O7S

Molecular Mass

472.64

Cite this Page

Deoxycholic acid 3-sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67030-48-2 (retrieved 2024-11-13) (CAS RN: 67030-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O7S/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(31-32(28,29)30)10-11-23(15,2)20(17)13-21(25)24(18,19)3/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=ARGCPGOJOKCMSW-LLQZFEROSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C[C@@H]1O)([C@]4(C)[C@](CC3)(C[C@H](OS(=O)(=O)O)CC4)[H])[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)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 12-hydroxy-3-(sulfooxy)-, (3α,5β,12α)-
  • (3α,5β,12α)-12-Hydroxy-3-(sulfooxy)cholan-24-oic acid
  • Deoxycholic acid 3-sulfate

Deleted or Replaced CAS Registry Numbers

69525-78-6

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles