(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid

CAS Registry Number®

67030-51-7
No image available.

CAS Name

(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid

Molecular Formula

C24H40O10S2

Molecular Mass

552.70

Cite this Page

(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67030-51-7 (retrieved 2024-09-20) (CAS RN: 67030-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=BYHNMIVTBIJJFZ-LLQZFEROSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](C[C@@H]1OS(=O)(=O)O)([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(OS(=O)(=O)O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,12-bis(sulfooxy)-, (3α,5β,12α)-
  • (3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid
  • Deoxycholic acid disulfate