CAS 67030-48-2

(3alpha,5beta,12alpha)-12-hydroxy-3-(sulfooxy)cholan-24-oic acid

Formula: C₂₃H₃₈O₇S

InChI: InChI=1/C23H38O7S/c1-13(3-8-21(25)26)16-6-7-18-17-5-4-14-11-15(30-31(27,28)29)9-10-23(14,2)19(17)12-20(24)22(16)18/h13-20,22,24H,3-12H2,1-2H3,(H,25,26)(H,27,28,29)/t13-,14-,15-,16-,17+,18+,19+,20+,22?,23+/m1/s1

InChI key: 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]

Synonyms:

• (3α,5β,12α)-12-Hydroxy-3-(sulfooxy)cholan-24-oic acid
• 4-[(3Α,5Β,12Α,13Ξ,17Β)-12-Hydroxy-10-Methyl-3-(Sulfooxy)Gonan-17-Yl]Pentanoic Acid
• Cholan-24-oic acid, 12-hydroxy-3-(sulfooxy)-, (3alpha,5beta,12alpha)-
• Cholan-24-oic acid, 12-hydroxy-3-(sulfooxy)-, (3α,5β,12α)-
• Deoxycholic acid 3-sulfate
• 4-[(3α,5β,12α,13ξ,17β)-12-hydroxy-10-methyl-3-(sulfooxy)gonan-17-yl]pentanoic acid

Deoxycholic acid 3-sulfate

CAS: 67030-48-2

Deoxycholic acid 3-sulfate is a sulphonated bile acid and endogenous metabolite, suitable for biochemical experiments and drug synthesis research.

Formula: C₂₄H₄₀O₇S

Molecular weight: 472.64

Ref: TM-T207843