Chem
J-GLOBAL ID：200907077191602342   Nikkaji number：J246.977D

Neoxanthin

ネオキサンチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C40H56O4
Molecular formula furigana： C40-H56-O4
Molecular weight： 600.884
InChI： InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1
InChI key： PGYAYSRVSAJXTE-FTLOKQSXSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Systematic name  (2)：
  • (3S,3′S,5R,5′R,6R,6′S,9′Z)-6,7-ジデヒドロ-5′,6′-エポキシ-5,5′,6,6′-テトラヒドロ-β,β-カロテン-3,3′,5-トリオール
  • (3S,3′S,5R,5′R,6S,6′R,9Z)-5,6-エポキシ-6′,7′-ジデヒドロ-5,6,5′,6′-テトラヒドロ-β,β-カロテン-3,3′,5′-トリオール
Other name (7)：
  • Neoxanthin
  • ネオキサンチン
  • (3S,3′S,5R,5′R,6R,6′S,9′Z)-6,7-Didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-β,β-caroten-3,3′,5-triol
  • cis-ネオキサンチン
  • (3S,3′S,5R,5′R,6R,6′S,9′Z)-6,7-Didehydro-5′,6′-epoxy-5,5′,6,6′-tetrahydro-β,β-carotene-3,3′,5-triol
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CAS registry number： 14660-91-4
KEGG COMPOUND： C08606 ,  C13431
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