Chem
J-GLOBAL ID：200907098889697628   Nikkaji number：J17.868C

Vallesiachotamine

バレシアコタミン
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： C21H22N2O3
Molecular formula furigana： C21-H22-N2-O3
Molecular weight： 350.418
InChI： InChI=1S/C21H22N2O3/c1-3-13(12-24)16-10-19-20-15(14-6-4-5-7-18(14)22-20)8-9-23(19)11-17(16)21(25)26-2/h3-7,11-12,16,19,22H,8-10H2,1-2H3/b13-3-/t16-,19-/m0/s1
InChI key： NTVLUSJWJRSPSM-JXSBNBLESA-N
SMILES： COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1/C(=C\C)/C=O
Systematic name  (3)：
  • (15S,16E)-16,17,20,21-テトラデヒドロ-16-ホルミル-18,19-セコヨヒンバン-19-酸メチル
  • メチル (2S,12bS)-2-[(2E)-1-オキソブタ-2-エン-2-イル]-1H,2H,6H,7H,12H,12bH-インドロ[2,3-a]キノリジン-3-カルボキシラート
  • methyl (2S,12bS)-2-[(2E)-1-oxobut-2-en-2-yl]-1H,2H,6H,7H,12H,12bH-indolo[2,3-a]quinolizine-3-carboxylate
Other name (3)：
  • バレシアコタミン
  • Vallesiachotamine
  • (15S,16E)-16,17,20,21-Tetradehydro-16-formyl-18,19-secoyohimban-19-oic acid methyl ester
CAS registry number： 5523-37-5
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