Chem
J-GLOBAL ID：200907056029223934   Nikkaji number：J1.464.538A

Prasinoxanthin

プラシノキサンチン
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/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40+/m0/s1
InChI key： WOJYJHBMWRNRJG-ITGJSFTBSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@@]1(O)C(=C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/[C@H]1C(=C[C@H](O)CC1(C)C)C
Systematic name  (3)：
  • (3S,3′R,6S,6′R)-5,18-ジデヒドロ-5,6,7,8-テトラヒドロ-3,3′,6-トリヒドロキシ-8-オキソ-β,ε-カロテン
  • (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-ジヒドロキシ-2,2-ジメチル-6-メチリデンシクロヘキシル]-18-[(1R,4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-2-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-3,5,7,9,11,13,15,17-オクタエン-2-オン
  • (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
Other name (3)：
  • (3S,3′R,6S,6′R)-5,18-Didehydro-5,6,7,8-tetrahydro-3,3′,6-trihydroxy-8-oxo-β,ε-carotene
  • プラシノキサンチン
  • Prasinoxanthin
CAS registry number： 94705-97-2
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