Analyte Name

7beta-Hydroxy Cholesterol 3beta-Acetate-d7

Molecular Formula

C29 D7 H41 O3

Molecular Weight

451.733

Accurate Mass

451.404

SMILES

[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)C([2H])([2H])[2H]

InChI

InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-27,31H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,26+,27+,28+,29-/m1/s1/i1D3,2D3,18D

IUPAC

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

Unlabelled CAS Number

17974-77-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat