Chem
J-GLOBAL ID：200907041944686272   Nikkaji number：J1.051.685D

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

(3aR)-2-メチル-4α-(3,5-ジメチルベンジル)-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： C22H23NO3
Molecular formula furigana： C22-H23-N-O3
Molecular weight： 349.430
InChI： InChI=1S/C22H23NO3/c1-12-7-13(2)9-14(8-12)10-17-18(24)11-15-5-4-6-16-19(15)20(17)22(26)23(3)21(16)25/h4-9,17-18,20,24H,10-11H2,1-3H3/t17-,18+,20-/m1/s1
InChI key： GGNUMULSNZBXAF-WSTZPKSXSA-N
SMILES： CN1C(=O)[C@@H]2[C@H](Cc3cc(C)cc(C)c3)[C@@H](O)Cc3cccc(C1=O)c23
Systematic name  (3)：
  • (3aR)-2-メチル-4α-(3,5-ジメチルベンジル)-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)-6-[(3,5-ジメチルフェニル)メチル]-7-ヒドロキシ-3-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)-6-[(3,5-dimethylphenyl)methyl]-7-hydroxy-3-methyl-3-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-triene-2,4-dione
Other name (1)：
  • (3aR)-2-Methyl-4α-(3,5-dimethylbenzyl)-5β-hydroxy-2,3,3aβ,4,5,6-hexahydro-1H-benzo[de]isoquinoline-1,3-dione
Thsaurus map：
Thesaurus Map

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