牛胆酸钠 水合物

产品名称

牛胆酸钠 水合物, ≥97.0% (TLC)

InChI key

RDAJAQDLEFHVNR-NEMAEHQESA-M

InChI

1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1

SMILES string

O.[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

biological source

ox bile
synthetic

description

anionic

assay

≥97.0% (TLC)

form

powder

optical activity

[α]20/D +23±1°, c = 3% in H₂O (dry matter)

mol wt

537.68 g/mol (anhydrous basis)

impurities

≤1% taurine
≤2% cholic acid

solubility

H₂O: 50 mg/mL, clear

functional group

sulfonic acid

Quality Level

200