Chem
J-GLOBAL ID：200907030640161031   Nikkaji number：J2.452.698D

Fetidine

フェチジン
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： C40H46N2O8
Molecular formula furigana： C40-H46-N2-O8
Molecular weight： 682.814
InChI： InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1
InChI key： IBHSRCBKJMEBQB-VMPREFPWSA-N
SMILES： COc1cc2CCN(C)[C@@H](Cc3ccc(OC)c(OC)c3Oc3cc4C[C@@H]5N(C)CCc6cc(OC)c(O)c(c4cc3OC)c56)c2cc1OC
Systematic name  (4)：
  • (6aS)-9-[6-[[(1S)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチルイソキノリン-1-イル]メチル]-2,3-ジメトキシフェノキシ]-5,6,6a,7-テトラヒドロ-2,10-ジメトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン-1-オール
  • (6aS)-9-[2,3-ジメトキシ-6-[[(1S)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチルイソキノリン-1-イル]メチル]フェノキシ]-5,6,6a,7-テトラヒドロ-2,10-ジメトキシ-6-メチル-4H-ジベンゾ[de,g]キノリン-1-オール
  • (9S)-5-(6-{[(1S)-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-1-イル]メチル}-2,3-ジメトキシフェノキシ)-4,15-ジメトキシ-10-メチル-10-アザテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-1(17),2(7),3,5,13,15-ヘキサエン-16-オール
  • (9S)-5-(6-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2,3-dimethoxyphenoxy)-4,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-ol
Other name (6)：
  • (6aS)-9-[6-[[(1S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl]methyl]-2,3-dimethoxyphenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1-ol
  • O1-デメチルタリレボルチン
  • O1-Demethylthalirevolutine
  • (6aS)-9-[2,3-Dimethoxy-6-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinoline-1-ol
  • Fetidine
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CAS registry number： 7072-86-8
KEGG COMPOUND： C09441
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