Chem
J-GLOBAL ID：200907057233331866   Nikkaji number：J14.946B

Obaberine

オバベリン
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： C38H42N2O6
Molecular formula furigana： C38-H42-N2-O6
Molecular weight： 622.762
InChI： InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
InChI key： FBCXFKWMGIWMJQ-IHLOFXLRSA-N
SMILES： COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(OC)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Systematic name  (4)：
  • 6,6′,7,12′-テトラメトキシ-2,2′-ジメチルオキシアカンタン
  • (+)-6,6′,7,12′-テトラメトキシ-2,2′-ジメチルオキシアカンタン
  • (1R,14S)-6,20,21,25-テトラメトキシ-15,30-ジメチル-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(33),19,21,24,26,31,34-ドデカエン
  • (1R,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-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(33),19,21,24,26,31,34-dodecaene
Other name (6)：
  • オバベリン
  • (+)-オバベリン
  • Obaberine
  • (+)-Obaberine
  • (+)-6,6′,7,12′-Tetramethoxy-2,2′-dimethyloxyacanthan
Show all
CAS registry number： 1263-80-5
KEGG COMPOUND： C09596
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