Nombre del analito

Sodium Taurodehydrocholate

Número CAS

57011-24-2

Fórmula molecular

C26H38NNaO7S

Peso molecular

531.23

SMILES

O=C1[C@@]2([H])[C@@]3([H])[C@@]([C@@](CC3)([H])[C@H](C)CCC(NCCS(=O)(O[Na])=O)=O)(C(C[C@]2([H])[C@@]4([C@](CC(CC4)=O)([H])C1)C)=O)C

InChI

InChI=1S/C26H39NO7S.Na/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;/h15-16,18-20,24H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1/t15-,16+,18-,19?,20?,24?,25+,26-;/m1./s1

País de origen

CANADA

Formato del producto

Neat