Analyte Name

Sodium Taurohyodeoxycholate

CAS Number

38411-85-7

Molecular Formula

C26 H44 N O6 S . Na

Molecular Weight

521.685

Accurate Mass

521.279

SMILES

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

InChI

InChI=1S/C26H45NO6S.Na/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-;/m1./s1

IUPAC

sodium;2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat