Chem
J-GLOBAL ID：200907003484303087   Nikkaji number：J82.188H

4,21-Dehydrogeissoschizine

4,21-デヒドロゲイッソシジン
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： 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/h3-7,11-12,16,19,22H,8-10H2,1-2H3/p+1/b13-3-/t16-,19-/m0/s1
InChI key： CUHFIPBCFIPFJM-JXSBNBLESA-O
SMILES： COC(=O)/C(=C/O)/[C@H]1C[C@H]2c3[nH]c4ccccc4c3CC[N+]2=C/C/1=C/C
Systematic name  (3)：
  • (16E,19E)-16,17,19,20,21-ペンタデヒドロ-17-ヒドロキシコリナン-4-イウム-16-カルボン酸メチル
  • (2S,3E,12bS)-3-エチリデン-2-[(1E)-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,3E,12bS)-3-ethylidene-2-[(1E)-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)：
  • 4,21-Dehydrogeissoschizine
  • 4,21-デヒドロゲイッソシジン
  • (16E,19E)-16,17,19,20,21-Pentadehydro-17-hydroxycorynan-4-ium-16-carboxylic acid methyl ester
KEGG COMPOUND： C03677
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