Analytenname

1beta-Hydroxydeoxycholic Acid-d5

Molekularformel

C24 D5 H35 O5

Molekulargewicht

413.602

Genaue Masse

413.319

SMILES

[2H]C1([2H])[C@@H](O)[C@]2(C)C3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4C3CC[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)O

InChI

InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16?,17-,18+,19?,20-,21+,23+,24-/m1/s1/i10D2,11D2,15D

IUPAC

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

Nicht gekennzeichnete CAS-Nummer

80434-32-8

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produkttyp

Stable Isotope Labelled

Produktformat

Neat