Chem
J-GLOBAL ID：200907011687675950   Nikkaji number：J1.067.117E

Sclerotioramine

スクレロチオラミン
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： C21H24ClNO4
Molecular formula furigana： C21-H24-CL-N-O4
Molecular weight： 389.880
InChI： InChI=1S/C21H24ClNO4/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-23-15)19(25)21(5,27-14(4)24)20(26)18(16)22/h7-12,23H,6H2,1-5H3/b8-7+,13-9+
InChI key： DOUKEKLEUAGITQ-NJHPPEEMSA-N
SMILES： CCC(C)/C=C(\C)/C=C/c1cc2=C(Cl)C(=O)C(C)(OC(=O)C)C(=O)c2c[nH]1
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]-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]-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]-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]-7-methylisoquinoline-6,8(2H,7H)-dione
  • スクレロチオラミン
  • Sclerotioramine
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