Chem
J-GLOBAL ID：200907082278571552   Nikkaji number：J6.527G

Isothebaine

イソテバイン
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： C19H21NO3
Molecular formula furigana： C19-H21-N-O3
Molecular weight： 311.381
InChI： InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1
InChI key： RQCOQZNIQLKGTN-ZDUSSCGKSA-N
SMILES： COc1cc2CCN(C)[C@H]3Cc4cccc(OC)c4c(c1O)c23
Systematic name  (3)：
  • (6aS)-5,6,6a,7-テトラヒドロ-2,11-ジメトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン-1-オール
  • (9S)-3,15-ジメトキシ-10-メチル-10-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(16),2,4,6,13(17),14-ヘキサエン-16-オール
  • (9S)-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,13(17),14-hexaen-16-ol
Other name (3)：
  • イソテバイン
  • Isothebaine
  • (6aS)-5,6,6a,7-Tetrahydro-2,11-dimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-1-ol
CAS registry number： 568-21-8
KEGG COMPOUND： C09550
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