Chem
J-GLOBAL ID：200907047706411450   Nikkaji number：J6.361D

Convolvine

コンボルビン
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： C16H21NO4
Molecular formula furigana： C16-H21-N-O4
Molecular weight： 291.347
InChI： InChI=1S/C16H21NO4/c1-19-14-6-3-10(7-15(14)20-2)16(18)21-13-8-11-4-5-12(9-13)17-11/h3,6-7,11-13,17H,4-5,8-9H2,1-2H3/t11-,12+,13?
InChI key： HDLNHIIKSUHARQ-FUNVUKJBSA-N
SMILES： COc1ccc(cc1OC)C(=O)OC1C[C@@H]2CC[C@H](C1)N2
Systematic name  (3)：
  • 3,4-ジメトキシ安息香酸(1R,5S)-8-アザビシクロ[3.2.1]オクタン-3α-イル
  • (1R,5S)-8-アザビシクロ[3.2.1]オクタン-3-イル 3,4-ジメトキシベンゾアート
  • (1R,5S)-8-azabicyclo[3.2.1]octan-3-yl 3,4-dimethoxybenzoate
Other name (3)：
  • コンボルビン
  • Convolvine
  • 3,4-Dimethoxybenzoic acid (1R,5S)-8-azabicyclo[3.2.1]octan-3α-yl ester
CAS registry number： 537-30-4
KEGG COMPOUND： C10856
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