Analyte Name

4beta-Hydroxy Cholesterol-d7 4-Acetate

CAS Number

1363529-54-7

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]3CC=C4[C@@H](OC(=O)C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]

InChI

InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(32-20(4)30)26(31)15-17-29(25,6)24(21)14-16-28(22,23)5/h11,18-19,21-24,26-27,31H,7-10,12-17H2,1-6H3/t19-,21+,22-,23+,24+,26+,27-,28-,29-/m1/s1/i1D3,2D3,18D

IUPAC

[(3S,4R,8S,9S,10R,13R,14S,17R)-3-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-4-yl] acetate

Unlabelled CAS Number

2515-18-6-

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat