Chem
J-GLOBAL ID：200907092515544404   Nikkaji number：J1.080.061G

19-Benzyl-2,3-dimethoxy-10-oxostrychnidine-19-ium

19-ベンジル-2,3-ジメトキシ-10-オキソストリクニジン-19-イウム
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： C30H33N[N+]O4
Molecular formula furigana： C30-H33-N2-O4
Molecular weight： 485.603
InChI： InChI=1S/C30H33N2O4/c1-34-23-13-21-22(14-24(23)35-2)31-27(33)15-25-28-20-12-26-30(21,29(28)31)9-10-32(26,17-19(20)8-11-36-25)16-18-6-4-3-5-7-18/h3-8,13-14,20,25-26,28-29H,9-12,15-17H2,1-2H3/q+1/t20-,25-,26-,28-,29-,30+,32?/m0/s1
InChI key： XFMQETLKDRNYRE-QIBSSCBHSA-N
SMILES： COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3C[N+]6(Cc7ccccc7)CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
Systematic name  (4)：
  • 19-ベンジル-2,3-ジメトキシ-10-オキソストリクニジン-19-イウム
  • 2,3-ジメトキシ-10-オキソ-19-ベンジルストリキニジン-19-イウム
  • (1S,11S,18S,20R,21R,22S)-17-ベンジル-4,5-ジメトキシ-9-オキソ-12-オキサ-8,17-ジアザヘプタシクロ[15.5.2.01,18.02,7.08,22.011,21.015,20]テトラコサ-2(7),3,5,14-テトラエン-17-イウム
  • (1S,11S,18S,20R,21R,22S)-17-benzyl-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.01,18.02,7.08,22.011,21.015,20]tetracosa-2(7),3,5,14-tetraen-17-ium
Other name (2)：
  • 19-Benzyl-2,3-dimethoxy-10-oxostrychnidine-19-ium
  • 2,3-Dimethoxy-10-oxo-19-benzylstrychnidine-19-ium
Thsaurus map：
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