Cholesteryl-2,2,3,4,4,6-d6 Octadecanoate

Analyte Name

Cholesteryl-2,2,3,4,4,6-D6 Stearate

CAS Number

2692624-28-3

Molecular Formula

C45 D6 H74 O2

Molecular Weight

659.1525

Accurate Mass

658.6535

SMILES

[2H]C1=C2C([2H])([2H])[C@@]([2H])(OC(=O)CCCCCCCCCCCCCCCCC)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)C

InChI

InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1/i26D,30D2,34D2,38D

IUPAC

[(3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] octadecanoate

Unlabelled CAS Number

35602-69-8

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

98 atom % D, min 97% Chemical Purity