分析物名称

6beta-Ethyl-7-keto-obeticholic Acid-d6

分子式

C26 D6 H36 O4

分子量

424.646

精确质量测定

424.346

SMILES

[2H]C([2H])([2H])C([2H])([2H])[C@@]1([2H])[C@@H]2C[C@H](O)CC[C@]2(C)C3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1=O)[C@H](C)CCC(=O)O

InChI

InChI=1S/C26H42O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23,27H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17+,18-,19+,20?,21+,23+,25-,26-/m1/s1/i1D3,5D2,17D

IUPAC

(4R)-4-[(3R,5S,6S,8S,10S,13R,14S,17R)-6-deuterio-3-hydroxy-10,13-dimethyl-7-oxo-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

无标签CAS登记号

915038-25-4

SIL类型

Deuterium

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat