Chem
J-GLOBAL ID：200907022884597114   Nikkaji number：J1.083.651D

2,2′-Diketospirilloxanthin

2,2′-ジケトスピリロキサンチン
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： C42H56O4
Molecular formula furigana： C42-H56-O4
Molecular weight： 624.906
InChI： InChI=1S/C42H56O4/c1-33(21-15-23-35(3)25-17-27-37(5)29-31-39(43)41(7,8)45-11)19-13-14-20-34(2)22-16-24-36(4)26-18-28-38(6)30-32-40(44)42(9,10)46-12/h13-32H,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChI key： MNKGOUOMGDXWPK-YDDLGYPNSA-N
SMILES： COC(C)(C)C(=O)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)OC)/C)/C)/C
Systematic name  (3)：
  • (3E,3′E,5E,5′E)-3,3′,4,4′-テトラデヒドロ-1,1′,2,2′-テトラヒドロ-1,1′-ジメトキシ-2,2′-ジオキソ-ψ,ψ-カロテン
  • (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-ジメトキシ-2,6,10,14,19,23,27,31-オクタメチルドトリアコンタ-4,6,8,10,12,14,16,18,20,22,24,26,28-トリデカエン-3,30-ジオン
  • (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-3,30-dione
Other name (3)：
  • (3E,3′E,5E,5′E)-3,3′,4,4′-Tetradehydro-1,1′,2,2′-tetrahydro-1,1′-dimethoxy-2,2′-dioxo-ψ,ψ-carotene
  • 2,2′-ジケトスピリロキサンチン
  • 2,2′-Diketospirilloxanthin
KEGG COMPOUND： C15885
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