Analyte Name

27-Hydroxy-7-keto Cholesterol-d4

Molecular Formula

C27 D4 H40 O3

Molecular Weight

420.661

Accurate Mass

420.354

SMILES

[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@H]1C([2H])([2H])C[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@H](O)CC4=CC3=O

InChI

InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-23,25,28-29H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1/i7D2,8D2

IUPAC

(3S,8S,9S,10R,13R,14S,17R)-16,16-dideuterio-17-[(2R)-3,3-dideuterio-7-hydroxy-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthren-7-one

Unlabelled CAS Number

148988-28-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat