(3a,5b,7a)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt

CAS: 60237-34-5

Ref. TR-H954025

Product Information

• Name: (3a,5b,7a)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt
• Synonyms: Cholan-24-oic acid, 7-hydroxy-3-(sulfooxy)-, disodium salt, (3α,5β,7α)- (9CI), Disodium 3-sulfochenodeoxycholate, Chenodeoxycholic acid 3-sulfate disodium salt, Chenodeoxycholic acid 3α-sulfate disodium salt, Chenodeoxycholic acid 3-O-sulfate disodium salt
• Brand: TRC
• Description: Stability HygroscopicApplications (3α,5β,7α)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid is the 3-monosulfate derivative of chenodeoxycholic acid (C291900), a major bile acid in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate.References Haslewood, E.S., et al.: Biochem. J., 155, 401 (1976); Parmentier, G., et al.: Steroids., 30, 583 (1977)

Chemical properties

• Molecular weight: 516.6
• Formula: C₂₄H₃₈Na₂O₇S
• Color/Form: Neat
• InChI: InChI=1S/C24H40O7S.2Na/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25;;/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30);;/q;2*+1/p-2/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-;;/m1../s1
• InChI key: InChIKey=JZOHDPVZIAVHER-VQNKLXGESA-L
• SMILES: C[C@H](CCC(=O)O[Na])[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](OS(=O)(=O)O[Na])C[C@H]1C[C@H]3O