Chem
J-GLOBAL ID：200907035569191163   Nikkaji number：J696.386B

Vinorine

ビノリン
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： C21H22N2O2
Molecular formula furigana： C21-H22-N2-O2
Molecular weight： 334.419
InChI： InChI=1S/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)22-19(16)21/h3-7,13,16-18,20H,8-10H2,1-2H3/b12-3-/t13-,16-,17-,18-,20+,21+/m0/s1
InChI key： CLDVMRAEPFQOSD-PCTANZRLSA-N
SMILES： C/C=C\1/CN2[C@H]3C[C@]45[C@H](OC(=O)C)[C@H]3[C@H]1C[C@H]2C4=Nc1ccccc51
Systematic name  (3)：
  • (17R,19E)-1-デメチル-1,2,19,20-テトラデヒドロアジュマラン-17-オールアセタート
  • (1R,10S,12R,13E,16S,17S,18R)-13-エチリデン-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
  • (1R,10S,12R,13E,16S,17S,18R)-13-ethylidene-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)：
  • ビノリン
  • Vinorine
  • (17R,19E)-1-Demethyl-1,2,19,20-tetradehydroajmalan-17-ol acetate
CAS registry number： 34020-07-0
KEGG COMPOUND： C11807
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