Glycodeoxycholic-2,2,4,4-d4 Acid

Nombre del analito

Glycodeoxycholic Acid (2,2,4,4-d4)

Número CAS

1069132-37-1

Fórmula molecular

C26 D4 H39 N O5

Peso molecular

453.65

Masa exacta

453.3392

SMILES

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

InChI

InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2

IUPAC

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

Número CAS sin etiquetar

360-65-6

Tipo SIL

Deuterium

Temperatura de almacenamiento

Room Temperature

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat