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Chemical structure of Neoxanthin

GC60268

Neoxanthin

Also known as trans-(1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15Z,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol

Neoxanthin is a major xanthophyll carotenoid and a precursor of the plant hormone abscisic acid in dark green leafy vegetables· Neoxanthin is a potent antioxidant and light-harvesting pigment· Neoxanthin induces apoptosis and has anticancer actions

ChemicalCAS14660-91-4MW600.87FormulaC40H56O4
CAS number
14660-91-4
Molecular weight
600.87
Formula
C40H56O4
InChIKey
PGYAYSRVSAJXTE-FTLOKQSXSA-N
Catalogue number
GC60268
Brand
GLPBIO
Computed properties PubChem CID 5282217 · XLogP 8.7 · TPSA 73.2 Ų · H-bond donors 3
XLogP
8.7
TPSA
73.2 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
44

SMILES C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(/C)\C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C

Computed descriptors from PubChem (CID 5282217), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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