Chem
J-GLOBAL ID：200907062043569096   Nikkaji number：J99.738B

Gigantine

ギガンチン
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： C13H19NO3
Molecular formula furigana： C13-H19-N-O3
Molecular weight： 237.299
InChI： InChI=1S/C13H19NO3/c1-8-10-7-11(16-3)13(17-4)12(15)9(10)5-6-14(8)2/h7-8,15H,5-6H2,1-4H3/t8-/m0/s1
InChI key： HRJQUAXWKYISJC-QMMMGPOBSA-N
SMILES： COc1cc2[C@H](C)N(C)CCc2c(O)c1OC
Systematic name  (3)：
  • (1S)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-1,2-ジメチルイソキノリン-5-オール
  • (1S)-6,7-ジメトキシ-1,2-ジメチル-1,2,3,4-テトラヒドロイソキノリン-5-オール
  • (1S)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-ol
Other name (3)：
  • Gigantine
  • ギガンチン
  • (1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinolin-5-ol
CAS registry number： 32829-58-6
KEGG COMPOUND： C09445
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