Chem
J-GLOBAL ID：200907044302074140   Nikkaji number：J358.663D

Vomilenine

ボミレニン
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： C21H22N2O3
Molecular formula furigana： C21-H22-N2-O3
Molecular weight： 350.418
InChI： InChI=1S/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-17,19-20,25H,8-9H2,1-2H3/b11-3+/t12-,15+,16-,17-,19-,20-,21+/m1/s1
InChI key： BERYBAUEDCRDKM-OXWQXESLSA-N
SMILES： C/C=C\1/[C@@H](O)N2[C@@H]3C[C@@]45[C@H](OC(=O)C)[C@@H]3[C@@H]1C[C@H]2C4=Nc1ccccc51
Systematic name  (3)：
  • (3E,4R,12bβ,13R)-13-アセトキシ-3-エチリデン-2,3,4,6,7,12b-ヘキサヒドロ-7aβ,2β,6β-エタン[1]イル[2]イリデン-1H-インドロ[2,3-a]キノリジン-4β-オール
  • (1S,10S,12S,13E,14R,16R,17R,18R)-13-エチリデン-14-ヒドロキシ-8,15-ジアザヘキサシクロ[14.2.1.01,9.02,7.010,15.012,17]ノナデカ-2,4,6,8-テトラエン-18-イル アセタート
  • (1S,10S,12S,13E,14R,16R,17R,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl acetate
Other name (3)：
  • ボミレニン
  • Vomilenine
  • (3E,4R,12bβ,13R)-13-Acetoxy-3-ethylidene-2,3,4,6,7,12b-hexahydro-7aβ,2β,6β-ethan[1]yl[2]ylidene-1H-indolo[2,3-a]quinolizin-4β-ol
CAS registry number： 6880-50-8
KEGG COMPOUND： C01761
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