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Chemical structure of β-Apo-8'-carotenal

GC63272

β-Apo-8'-carotenal

Also known as (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal

β-Apo-8'-carotenal (Apocarotenal), a provitamin A carotenoid, is an inducer of CYPlA1 and CYPlA2 in rat· β-Apo-8'-carotenal is present in many fruits and vegetables

ChemicalCAS1107-26-2MW416.64FormulaC30H40O
CAS number
1107-26-2
Molecular weight
416.64
Formula
C30H40O
InChIKey
DFMMVLFMMAQXHZ-DOKBYWHISA-N
Catalogue number
GC63272
Brand
GLPBIO
Computed properties PubChem CID 5478003 · XLogP 9.4 · TPSA 17.1 Ų · H-bond donors 0
XLogP
9.4
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
31

SMILES CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C

Computed descriptors from PubChem (CID 5478003), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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