(±)-Alpha-Bisabolol-d3 (racemic and diastereomeric mixture)

Analyte Name

(±)-a-Bisabolol-d3 (racemic and diastereomeric mixture)

Molecular Formula

C15H23D3O

Molecular Weight

225.38

Accurate Mass

225.22

SMILES

O[C@]([C@]1([H])CCC(C)=CC1)([C@@]([2H])([2H])[2H])CC/C=C(C)/C.O[C@]([C@@]2([H])CCC(C)=CC2)([C@@]([2H])([2H])[2H])CC/C=C(C)/C

InChI

InChI=1S/2C15H26O/c2*1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h2*6-7,14,16H,5,8-11H2,1-4H3/t2*14-,15?/m10/s1/i2*4D3

IUPAC

(R)-6-methyl-2-((R)-4-methylcyclohex-3-en-1-yl)hept-5-en-1,1,1-d3-2-ol+(R)-6-methyl-2-((S)-4-methylcyclohex-3-en-1-yl)hept-5-en-1,1,1-d3-2-ol

Alternate CAS Number

515-69-5

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)