Chem
J-GLOBAL ID：200907087133738671   Nikkaji number：J1.051.683H

(3aR)-2-Methyl-4α-(2-methylbenzyl)-5β-hydroxy-2,3,3aβ,4,5,6-hexahydro-1H-benzo[de]isoquinoline-1,3-dione

(3aR)-2-メチル-4α-(2-メチルベンジル)-5β-ヒドロキシ-2,3,3aβ,4,5,6-ヘキサヒドロ-1H-ベンゾ[de]イソキノリン-1,3-ジオン
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： C21H21NO3
Molecular formula furigana： C21-H21-N-O3
Molecular weight： 335.403
InChI： InChI=1S/C21H21NO3/c1-12-6-3-4-7-13(12)10-16-17(23)11-14-8-5-9-15-18(14)19(16)21(25)22(2)20(15)24/h3-9,16-17,19,23H,10-11H2,1-2H3/t16-,17+,19-/m1/s1
InChI key： SDVTVVDOLPMNIF-ZIFCJYIRSA-N
SMILES： CN1C(=O)[C@@H]2[C@H](Cc3ccccc3C)[C@@H](O)Cc3cccc(C1=O)c23
Systematic name  (3)：
  • (3aR)-2-メチル-4α-(2-メチルベンジル)-5β-ヒドロキシ-2,3,3aβ,4,5,6-ヘキサヒドロ-1H-ベンゾ[de]イソキノリン-1,3-ジオン
  • (5R,6S,7S)-7-ヒドロキシ-3-メチル-6-[(2-メチルフェニル)メチル]-3-アザトリシクロ[7.3.1.05,13]トリデカ-1(13),9,11-トリエン-2,4-ジオン
  • (5R,6S,7S)-7-hydroxy-3-methyl-6-[(2-methylphenyl)methyl]-3-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-2,4-dione
Other name (1)：
  • (3aR)-2-Methyl-4α-(2-methylbenzyl)-5β-hydroxy-2,3,3aβ,4,5,6-hexahydro-1H-benzo[de]isoquinoline-1,3-dione
Thsaurus map：
Thesaurus Map

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