Cholic Acid-d4

Nombre del analito

Cholic Acid-d4

Número CAS

116380-66-6

Fórmula molecular

C24 D4 H36 O5

Peso molecular

412.596

Masa exacta

412.313

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]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(=O)O

InChI

InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2

IUPAC

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

Número CAS sin etiquetar

81-25-4

Tipo SIL

Deuterium

Temperatura de almacenamiento

+4°C

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

Stable Isotope Labelled

Formato del producto

Neat

Purity

>95% (HPLC)