Chem
J-GLOBAL ID：200907072756309766   Nikkaji number：J1.545.331A

Salmoxanthin

サルモキサンチン
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)21-23-39(43)33(5)25-34(41)26-36(39,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-40-37(8,9)27-35(42)28-38(40,10)44-40/h11-25,34-35,41-43H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,38-,39+,40+/m1/s1
InChI key： SVQBXFMDOMCWNO-ANLGSCMUSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@]1(O)C(=C[C@@H](O)CC1(C)C)C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
Systematic name  (3)：
  • (3S,3′S,5R,6S,6′R)-5,6-エポキシ-5,6-ジヒドロ-β,ε-カロテン-3,3′,6′-トリオール
  • (1R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-ヒドロキシ-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-2,6,6-トリメチルシクロヘキサ-2-エン-1,4-ジオール
  • (1R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,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-nonaen-1-yl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
Other name (3)：
  • (3S,3′S,5R,6S,6′R)-5,6-Epoxy-5,6-dihydro-β,ε-carotene-3,3′,6′-triol
  • サルモキサンチン
  • Salmoxanthin
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