Chem
J-GLOBAL ID:200907057559987800   Nikkaji number:J2.402.214E

N2-Demethylrepandine

N2-デメチルレパンジン
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: C36H38N2O6
Molecular formula furigana: C36-H38-N2-O6
Molecular weight: 594.708
InChI: InChI=1S/C36H38N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28-/m0/s1
InChI key: FLCMAUUZBGVBJQ-NSOVKSMOSA-N
SMILES: COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6NCCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4
Systematic name  (3):
  • (1′S)-6,6′,7-トリメトキシ-2′-メチルオキシアカンタン-12′-オール
  • (1S,14S)-20,21,25-トリメトキシ-30-メチル-8,23-ジオキサ-15,30-ジアザヘプタシクロ[22.6.2.29,12.13,7.114,18.027,31.022,33]ヘキサトリアコンタ-3,5,7(36),9,11,18,20,22(33),24(32),25,27(31),34-ドデカエン-6-オール
  • (1S,14S)-20,21,25-trimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24(32),25,27(31),34-dodecaen-6-ol
Other name (3):
  • (1′S)-6,6′,7-Trimethoxy-2′-methyloxyacanthan-12′-ol
  • N2-デメチルレパンジン
  • N2-Demethylrepandine
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