Chem
J-GLOBAL ID：200907079058142471   Nikkaji number：J1.067.116G

Isochromophilone VI

イソクロモフィロンVI
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： C23H28ClNO5
Molecular formula furigana： C23-H28-CL-N-O5
Molecular weight： 433.930
InChI： InChI=1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3/b8-7+,15-11+
InChI key： ZQLIAKJHIRHCFA-XHBXSBNISA-N
SMILES： CCC(C)/C=C(\C)/C=C/c1cc2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)c2cn1CCO
Systematic name  (3)：
  • 7-アセトキシ-5-クロロ-3-[(1E,3E)-3,5-ジメチル-1,3-ヘプタジエニル]-2-(2-ヒドロキシエチル)-7-メチルイソキノリン-6,8(2H,7H)-ジオン
  • 5-クロロ-3-[(1E,3E)-3,5-ジメチルヘプタ-1,3-ジエン-1-イル]-2-(2-ヒドロキシエチル)-7-メチル-6,8-ジオキソ-2,6,7,8-テトラヒドロイソキノリン-7-イル アセタート
  • 5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate
Other name (3)：
  • 7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadienyl]-2-(2-hydroxyethyl)-7-methylisoquinoline-6,8(2H,7H)-dione
  • イソクロモフィロンVI
  • Isochromophilone VI
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