Chem
J-GLOBAL ID：200907090056067000   Nikkaji number：J533.630I

Cepharanoline

セファラノリン
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： C36H36N2O6
Molecular formula furigana： C36-H36-N2-O6
Molecular weight： 592.692
InChI： InChI=1S/C36H36N2O6/c1-37-12-10-23-17-31(40-3)32-19-26(23)27(37)15-22-6-9-29(39)30(16-22)43-25-7-4-21(5-8-25)14-28-34-24(11-13-38(28)2)18-33-35(36(34)44-32)42-20-41-33/h4-9,16-19,27-28,39H,10-15,20H2,1-3H3/t27-,28+/m1/s1
InChI key： VQAWRQZAAIQXHM-IZLXSDGUSA-N
SMILES： COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc8OCOc8c(Oc1cc23)c67)cc5)c4
Systematic name  (4)：
  • 6′-メトキシ-2,2′-ジメチル-6,7-(メチレンビスオキシ)オキシアカンタン-12′-オール
  • 6′-メトキシ-2,2′-ジメチル-6,7-[メチレンビス(オキシ)]オキシアカンタン-12′-オール
  • (14S,27R)-33-メトキシ-13,28-ジメチル-2,5,7,20-テトラオキサ-13,28-ジアザオクタシクロ[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]ノナトリアコンタ-1(34),3(39),4(8),9,16,18,21(36),22,24,31(35),32,37-ドデカエン-22-オール
  • (14S,27R)-33-methoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(34),3(39),4(8),9,16,18,21(36),22,24,31(35),32,37-dodecaen-22-ol
Other name (6)：
  • セファラノリン
  • Cepharanoline
  • 6′-Methoxy-2,2′-dimethyl-6,7-[methylenebis(oxy)]oxyacanthan-12′-ol
  • 6′-Methoxy-2,2′-dimethyl-6,7-(methylenebisoxy)oxyacanthan-12′-ol
  • O12-デメチルセファランチン
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CAS registry number： 27686-34-6
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