Chem
J-GLOBAL ID：200907030764858090   Nikkaji number：J2.643.973F

12′-Apo-15′-nitroastaxanthinal

12′-アポ-15′-ニトロ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： C25H31[N+]O4[O-]
Molecular formula furigana： C25-H31-N-O5
Molecular weight： 425.525
InChI： InChI=1S/C25H31NO5/c1-17(10-12-21(26(30)31)14-19(3)16-27)8-7-9-18(2)11-13-22-20(4)24(29)23(28)15-25(22,5)6/h7-14,16,23,28H,15H2,1-6H3/b8-7+,13-11+,17-10+,18-9+,19-14+,21-12+/t23-/m0/s1
InChI key： BMHUZJVTYIGREK-JKPGMFQASA-N
SMILES： C/C(=C\C=C(/C=C(\C)/C=O)\[N+](=O)[O-])/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,15E)-3-ヒドロキシ-4-オキソ-15′-ニトロ-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-4-ニトロトリデカ-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-trimethyl-4-nitrotrideca-2,4,6,8,10,12-hexaenal
Other name (3)：
  • (3S,15E)-3-Hydroxy-4-oxo-15′-nitro-12′-apo-β,ψ-carotene-12′-al
  • 12′-アポ-15′-ニトロアスタキサンチナール
  • 12′-Apo-15′-nitroastaxanthinal
Thsaurus map：
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