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Chemical structure of β-Carotene-d8

GC71841

β-Carotene-d8

Also known as 2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-4,15-dideuterio-7,12-dimethyl-3,16-bis(trideuteriomethyl)-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,3,3-trimethylcyclohexene

β-Carotene-d8 is the deuterium labeled β-Carotene

ChemicalCAS53163-44-3MW544.92FormulaC40H48D8
CAS number
53163-44-3
Molecular weight
544.92
Formula
C40H48D8
InChIKey
OENHQHLEOONYIE-CFJDOBIZSA-N
Catalogue number
GC71841
Brand
GLPBIO
Computed properties PubChem CID 171713598 · XLogP 13.5 · TPSA 0 Ų · H-bond donors 0
XLogP
13.5
TPSA
0 Ų
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
10
Heavy atoms
40

SMILES [2H]/C(=C(/C=C/C1=C(CCCC1(C)C)C)\C([2H])([2H])[2H])/C=C/C(=C/C=C/C=C(\C)/C=C/C(=C(/C=C/C2=C(CCCC2(C)C)C)\C([2H])([2H])[2H])/[2H])/C

Computed descriptors from PubChem (CID 171713598), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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