Chem
J-GLOBAL ID：200907085662121326   Nikkaji number：J14.552A

Isoboldine

イソボルジン
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： C19H21NO4
Molecular formula furigana： C19-H21-N-O4
Molecular weight： 327.380
InChI： InChI=1S/C19H21NO4/c1-20-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)14(21)7-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChI key： LINHZVMHXABQLB-UHFFFAOYSA-N
SMILES： COc1cc2c(CC3N(C)CCc4cc(OC)c(O)c2c34)cc1O
Systematic name  (1)：
  • (6S)-5,6,6a,7-テトラヒドロ-2,10-ジメトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン-1,9-ジオール
Other name (5)：
  • イソボルジン
  • (+)-イソボルジン
  • Isoboldine
  • (+)-Isoboldine
  • (6S)-5,6,6a,7-Tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1,9-diol
CAS registry number： 3019-51-0
KEGG COMPOUND： C09541
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