Chem
J-GLOBAL ID：200907005231219295   Nikkaji number：J759.528J

9-O-Methylstecepharine

9-O-メチルステセファリン
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： C22H28[N+]O5
Molecular formula furigana： C22-H28-N-O5
Molecular weight： 386.467
InChI： InChI=1S/C22H27NO5/c1-23-9-8-14-11-18(26-3)22(28-5)20(24)19(14)16(23)10-13-6-7-17(25-2)21(27-4)15(13)12-23/h6-7,11,16H,8-10,12H2,1-5H3/p+1/t16-,23-/m0/s1
InChI key： DAXMITCMDCXYBO-HJPURHCSSA-O
SMILES： COc1ccc2C[C@H]3c4c(CC[N@@+]3(C)Cc2c1OC)cc(OC)c(OC)c4O
Systematic name  (4)：
  • 1-ヒドロキシ-2,3,9,10-テトラメトキシ-7α-メチル-5,6,7,8,13,13aα-ヘキサヒドロジベンゾ[a,g]キノリジニウム
  • (7S,13aS)-5,8,13,13a-テトラヒドロ-1-ヒドロキシ-2,3,9,10-テトラメトキシ-7-メチル-6H-ジベンゾ[a,g]キノリジニウム
  • (6S,12bS)-12-ヒドロキシ-3,4,10,11-テトラメトキシ-6-メチル-5,6,7,8,12b,13-ヘキサヒドロ-6-アザテトラフェン-6-イウム
  • (6S,12bS)-12-hydroxy-3,4,10,11-tetramethoxy-6-methyl-5,6,7,8,12b,13-hexahydro-6-azatetraphen-6-ium
Other name (4)：
  • 1-Hydroxy-2,3,9,10-tetramethoxy-7α-methyl-5,6,7,8,13,13aα-hexahydrodibenzo[a,g]quinolizinium
  • (7S,13aS)-5,8,13,13a-Tetrahydro-1-hydroxy-2,3,9,10-tetramethoxy-7-methyl-6H-dibenzo[a,g]quinolizinium
  • 9-O-メチルステセファリン
  • 9-O-Methylstecepharine
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