Chem
J-GLOBAL ID：200907089591692152   Nikkaji number：J2.186.866C

12′-Apoastaxanthinal

12′-アポアスタキサンチナール
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： C25H32O3
Molecular formula furigana： C25-H32-O3
Molecular weight： 380.528
InChI： InChI=1S/C25H32O3/c1-18(10-7-8-11-20(3)17-26)12-9-13-19(2)14-15-22-21(4)24(28)23(27)16-25(22,5)6/h7-15,17,23,27H,16H2,1-6H3/b8-7+,12-9+,15-14+,18-10+,19-13+,20-11+/t23-/m0/s1
InChI key： GTOIUXBIUCWSNU-MICLCECWSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=O
Systematic name  (3)：
  • (3S)-3-ヒドロキシ-4-オキソ-12′-アポ-β,ψ-カロテン-12′-アール
  • (2E,4E,6E,8E,10E,12E)-13-[(4S)-4-ヒドロキシ-2,6,6-トリメチル-3-オキソシクロヘキサ-1-エン-1-イル]-2,7,11-トリメチルトリデカ-2,4,6,8,10,12-ヘキサエナール
  • (2E,4E,6E,8E,10E,12E)-13-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
Other name (3)：
  • (3S)-3-Hydroxy-4-oxo-12′-apo-β,ψ-carotene-12′-al
  • 12′-アポアスタキサンチナール
  • 12′-Apoastaxanthinal
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