Sodium taurochenodeoxycholate-2,2,3,4,4,6,6,7,8-d₉

同位素纯度

≥98 atom % D

质量水平

200

方案

≥98% (CP)

表单

powder

技术

mass spectrometry (MS): suitable

质量偏移

M+9

SMILES字符串

O=C(NCCS(=O)(O[Na])=O)CC[C@@H](C)[C@@H]1CCC2C3([2H])[C@@](O)([2H])C([2H])([2H])C4C([2H])([2H])[C@@](O)([2H])C([2H])([2H])C[C@]4(C)C3CC[C@@]21C

InChI

1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17?,18-,19?,20?,21?,22-,24?,25+,26-;/m1./s1/i8D2,14D2,15D2,18D,22D,24D;

InChI key

IYPNVUSIMGAJFC-YHOAHADESA-M