7Beta-Hydroxy-4-cholesten-3-one-d7

Analyte Name

7beta-Hydroxy-4-cholesten-3-one 25,26,26,26,27,27,27-d7

CAS Number

1262046-74-1

Molecular Formula

C27 2H7 H37 O2

Molecular Weight

407.68

Accurate Mass

407.3781

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])[2H]

InChI

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24+,25+,26+,27-/m1/s1/i1D3,2D3,17D

IUPAC

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

Unlabelled CAS Number

25876-54-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)