Chem
J-GLOBAL ID：200907032040022405   Nikkaji number：J12.815E

Carococculine

カロコックリン
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： C19H23NO5
Molecular formula furigana： C19-H23-N-O5
Molecular weight： 345.395
InChI： InChI=1S/C19H23NO5/c1-20-7-6-19-9-12(21)16(22)18(25-3)15(19)11(20)8-10-4-5-13(24-2)17(23)14(10)19/h4-5,11,15,22-23H,6-9H2,1-3H3/t11-,15-,19-/m1/s1
InChI key： OTYKXNWPUNSPSI-PRIMNGNOSA-N
SMILES： COC1=C(O)C(=O)C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)[C@H]13
Systematic name  (3)：
  • 7,8-ジデヒドロ-4,7-ジヒドロキシ-3,8-ジメトキシ-17-メチルモルフィナン-6-オン
  • (1S,9R,10R)-3,12-ジヒドロキシ-4,11-ジメトキシ-17-メチル-17-アザテトラシクロ[7.5.3.01,10.02,7]ヘプタデカ-2,4,6,11-テトラエン-13-オン
  • (1S,9R,10R)-3,12-dihydroxy-4,11-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
Other name (3)：
  • カロコックリン
  • Carococculine
  • 7,8-Didehydro-4,7-dihydroxy-3,8-dimethoxy-17-methylmorphinan-6-one
CAS registry number： 54302-44-2
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