Analyte Name

Sodium Cholesterol-25,26,26,26,27,27,27-D7 Sulfate

CAS Number

2687961-01-7

Molecular Formula

C27H38D7NaO4S

Molecular Weight

495.75

Accurate Mass

495.34

SMILES

C[C@]12C(C[C@H](CC2)OS(=O)(O[Na])=O)=CC[C@]3([H])[C@]1([H])CC[C@]4([C@@]3([H])CC[C@]4([H])[C@H](C)CCCC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C

InChI

InChI=1S/C27H46O4S.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21+,22+,23-,24+,25+,26+,27-;/m1./s1/i1D3,2D3,18D;

IUPAC

sodium (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-(methyl-d3)heptan-2-yl-6,7,7,7-d4)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate

Unlabelled CAS Number

2864-50-8

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

99 atom % D, min 98% Chemical Purity