Chem
J-GLOBAL ID：200907077960231808   Nikkaji number：J15.994H

Kreysigine

クレイシギン
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： C22H27NO5
Molecular formula furigana： C22-H27-N-O5
Molecular weight： 385.460
InChI： InChI=1S/C22H27NO5/c1-23-9-8-13-10-15(25-2)20(24)19-17(13)14(23)7-6-12-11-16(26-3)21(27-4)22(28-5)18(12)19/h10-11,14,24H,6-9H2,1-5H3/t14-/m1/s1
InChI key： SXGHNTVPXYHQSN-CQSZACIVSA-N
SMILES： COc1cc2CCN(C)[C@@H]3CCc4cc(OC)c(OC)c(OC)c4c(c1O)c23
Systematic name  (3)：
  • (6aR)-4,5,6,6a,7,8-ヘキサヒドロ-2,10,11,12-テトラメトキシ-6-メチルベンゾ[6,7]シクロヘプタ[1,2,3-ij]イソキノリン-1-オール
  • (10R)-3,4,5,16-テトラメトキシ-11-メチル-11-アザテトラシクロ[8.7.1.02,7.014,18]オクタデカ-1(17),2,4,6,14(18),15-ヘキサエン-17-オール
  • (10R)-3,4,5,16-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2,4,6,14(18),15-hexaen-17-ol
Other name (3)：
  • クレイシギン
  • Kreysigine
  • (6aR)-4,5,6,6a,7,8-Hexahydro-2,10,11,12-tetramethoxy-6-methylbenzo[6,7]cyclohept[1,2,3-ij]isoquinolin-1-ol
CAS registry number： 23117-57-9
KEGG COMPOUND： C16714
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