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Chemical structure of 9-cis-β-Carotene

GC62819

9-cis-β-Carotene

Also known as 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

9-cis-β-Carotene, a precursor of retinal, is cleaved by beta-carotene oxygenase 1 (BCMO1) to produce 9-cis-retinal

ChemicalCAS13312-52-2MW536.87FormulaC40H56
CAS number
13312-52-2
Molecular weight
536.87
Formula
C40H56
InChIKey
OENHQHLEOONYIE-BVZAMQQESA-N
Catalogue number
GC62819
Brand
GLPBIO
Computed properties PubChem CID 9828626 · 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 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=C\C2=C(CCCC2(C)C)C)/C)/C

Computed descriptors from PubChem (CID 9828626), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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