Analyte Name

(7alpha,25R)-7,26-Dihydroxy-cholest-4-en-3-one-d6

Molecular Formula

C27 D6 H38 O3

Molecular Weight

422.673

Accurate Mass

422.367

SMILES

[2H]C([2H])([2H])[C@@]([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])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/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18+,21+,22-,23-,24+,25-,26-,27+/m0/s1/i1D3,16D2,17D

IUPAC

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R,6S)-6,7,7,7-tetradeuterio-6-[dideuterio(hydroxy)methyl]heptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Unlabelled CAS Number

192187-67-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat