Chem
J-GLOBAL ID：200907000102489950   Nikkaji number：J16.816E

Gambirtannine

ガンビルタンニン
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： C21H18N2O2
Molecular formula furigana： C21-H18-N2-O2
Molecular weight： 330.387
InChI： InChI=1S/C21H18N2O2/c1-25-21(24)16-7-4-5-13-12-23-10-9-15-14-6-2-3-8-18(14)22-20(15)19(23)11-17(13)16/h2-8,11,22H,9-10,12H2,1H3
InChI key： XXMFILHAOYZMSG-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc2CN3CCc4c([nH]c5ccccc45)C3=Cc12
Systematic name  (3)：
  • 5,7,8,13-テトラヒドロベンゾ[g]インドロ[2,3-a]キノリジン-1-カルボン酸メチル
  • メチル 3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-1(21),2(10),4,6,8,15(20),16,18-オクタエン-19-カルボキシラート
  • methyl 3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene-19-carboxylate
Other name (3)：
  • ガンビルタンニン
  • Gambirtannine
  • 5,7,8,13-Tetrahydrobenz[g]indolo[2,3-a]quinolizine-1-carboxylic acid methyl ester
CAS registry number： 24987-88-0
KEGG COMPOUND： C17533
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