Chem
J-GLOBAL ID：200907099875000302   Nikkaji number：J2.775.679D

Polyneuridine aldehyde

ポリノイリジンアルデヒド
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/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,15,17-18,22H,8-10H2,1-2H3/t15-,17+,18+,21?/m1/s1
InChI key： BRJNQOSDCDNITN-XEMATGJYSA-N
SMILES： COC(=O)C1(C=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H]3C[C@@H]1C(=CC)CN23
Systematic name  (3)：
  • (2R,6S,12bS)-3-エチリデン-1,2,3,4,6,7,12,12b-オクタヒドロ-13-(メトキシカルボニル)-2,6-メタノインドロ[2,3-a]キノリジン-13-カルボアルデヒド
  • メチル (1S,12S,14R)-15-エチリデン-13-ホルミル-3,17-ジアザペンタシクロ[12.3.1.02,10.04,9.012,17]オクタデカ-2(10),4,6,8-テトラエン-13-カルボキシラート
  • methyl (1S,12S,14R)-15-ethylidene-13-formyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Other name (3)：
  • (2R,6S,12bS)-3-Ethylidene-1,2,3,4,6,7,12,12b-octahydro-13-(methoxycarbonyl)-2,6-methanoindolo[2,3-a]quinolizine-13-carbaldehyde
  • Polyneuridine aldehyde
  • ポリノイリジンアルデヒド
KEGG COMPOUND： C11632
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