Chem
J-GLOBAL ID：200907029446793061   Nikkaji number：J2.775.794D

4,21-Dehydrocorynantheine aldehyde

4,21-デヒドロコリナンテインアルデヒド
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： C21H23N[N+]O3
Molecular formula furigana： C21-H23-N2-O3
Molecular weight： 351.425
InChI： InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-13,16,19,22H,1,8-10H2,2H3/p+1/t13-,16-,19-/m0/s1
InChI key： ALAYFJAHDKALQW-AXHNFQJDSA-O
SMILES： COC(=O)/C(=C\O)/[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N+]2=C[C@@H]1C=C
Systematic name  (3)：
  • (2S,3R,12bS)-3-エテニル-2,3,6,7,12,12b-ヘキサヒドロ-2-[(1Z)-2-ヒドロキシ-1-(メトキシカルボニル)エテニル]-1H-インドロ[2,3-a]キノリジン-5-イウム
  • (2S,3R,12bS)-3-エテニル-2-[(1Z)-1-ヒドロキシ-3-メトキシ-3-オキソプロパ-1-エン-2-イル]-1H,2H,3H,6H,7H,12H,12bH-5λ5-インドロ[2,3-a]キノリジン-5-イリウム
  • (2S,3R,12bS)-3-ethenyl-2-[(1Z)-1-hydroxy-3-methoxy-3-oxoprop-1-en-2-yl]-1H,2H,3H,6H,7H,12H,12bH-5λ5-indolo[2,3-a]quinolizin-5-ylium
Other name (3)：
  • (2S,3R,12bS)-3-Ethenyl-2,3,6,7,12,12b-hexahydro-2-[(1Z)-2-hydroxy-1-(methoxycarbonyl)ethenyl]-1H-indolo[2,3-a]quinolizine-5-ium
  • 4,21-Dehydrocorynantheine aldehyde
  • 4,21-デヒドロコリナンテインアルデヒド
CAS registry number： 66543-10-0
KEGG COMPOUND： C11679
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