Chem
J-GLOBAL ID：200907015604895720   Nikkaji number：J292.532J

Isostrychnine

イソストリキニン
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： C21H22N2O2
Molecular formula furigana： C21-H22-N2-O2
Molecular weight： 334.419
InChI： InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/t15-,18-,20-,21+/m0/s1
InChI key： PNYOGGAOQVIZDM-CEDBRAGKSA-N
SMILES： OCC=C1CN2CC[C@@]34[C@@H]2C[C@@H]1C1=CCC(=O)N([C@H]31)c1ccccc41
Systematic name  (4)：
  • 12,13-ジデヒドロ-12,24-セコストリキニジン-10-オン
  • (7R,8β,14α,16α)-12,13-ジデヒドロ-12,24-セコストリキニジン-10-オン
  • (1R,13S,19S,21S)-14-(2-ヒドロキシエチリデン)-8,16-ジアザヘキサシクロ[11.5.2.11,8.02,7.016,19.012,21]ヘンイコサ-2,4,6,11-テトラエン-9-オン
  • (1R,13S,19S,21S)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Other name (6)：
  • イソストリキニン
  • Isostrychnine
  • 12,13-Didehydro-12,24-secostrychnidin-10-one
  • (7R,8β,14α,16α)-12,13-Didehydro-12,24-secostrychnidine-10-one
  • (+)-イソストリキニン
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