Chem
J-GLOBAL ID：200907077112908849   Nikkaji number：J569.334I

Isochromophilone Ia

イソクロモフィロンIa
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： C23H25ClO5
Molecular formula furigana： C23-H25-CL-O5
Molecular weight： 416.900
InChI： InChI=1S/C23H25ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12,18-19H,6H2,1-5H3/b8-7+,13-9+
InChI key： BFKHRJFETIBYAU-NJHPPEEMSA-N
SMILES： CCC(C)/C=C(\C)/C=C/C1=CC2=C(Cl)C(=O)C3(C)OC(=O)C(C3C2=CO1)C(=O)C
Systematic name  (3)：
  • 3-[(1E,3E)-3,5-ジメチル-1,3-ヘプタジエニル]-5-クロロ-6a-メチル-9-アセチル-6a,9a-ジヒドロ-6H-フロ[2,3-h]-2-ベンゾピラン-6,8(9H)-ジオン
  • 9-アセチル-5-クロロ-3-[(1E,3E)-3,5-ジメチルヘプタ-1,3-ジエン-1-イル]-6a-メチル-6H,6aH,8H,9H,9aH-フロ[2,3-h]イソクロメン-6,8-ジオン
  • 9-acetyl-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-6a-methyl-6H,6aH,8H,9H,9aH-furo[2,3-h]isochromene-6,8-dione
Other name (3)：
  • イソクロモフィロンIa
  • Isochromophilone Ia
  • 3-[(1E,3E)-3,5-Dimethyl-1,3-heptadienyl]-5-chloro-6a-methyl-9-acetyl-6a,9a-dihydro-6H-furo[2,3-h]-2-benzopyran-6,8(9H)-dione
CAS registry number： 154037-52-2
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