Chem
J-GLOBAL ID：200907032411897787   Nikkaji number：J6.150F

Berbamine

ベルバミン
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： C37H40N2O6
Molecular formula furigana： C37-H40-N2-O6
Molecular weight： 608.735
InChI： InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChI key： DFOCUWZXJBAUSQ-URLMMPGGSA-N
SMILES： COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
Systematic name  (4)：
  • 6,6′,7-トリメトキシ-2,2′-ジメチルベルバマン-12-オール
  • (4aS,16aR)-3,4,4a,5,16a,17,18,19-オクタヒドロ-21,22,26-トリメトキシ-4,17-ジメチル-16H-1,24:6,9-ジエテノ-11,15-メテノ-2H-ピリド[2′,3′:17,18][1,11]ジオキサシクロイコシノ[2,3,4-ij]イソキノリン-12-オール
  • (1S,14R)-20,21,25-トリメトキシ-15,30-ジメチル-7,23-ジオキサ-15,30-ジアザヘプタシクロ[22.6.2.23,6.18,12.114,18.027,31.022,33]ヘキサトリアコンタ-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-ドデカエン-9-オール
  • (1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaen-9-ol
Other name (6)：
  • ベルバミン
  • Berbamine
  • ベルベニン
  • Berbenine
  • 6,6′,7-Trimethoxy-2,2′-dimethylberbaman-12-ol
Show all
CAS registry number： 478-61-5
Regulation number (2)：
  • DR9450000
  • EINECS2075235
KEGG COMPOUND： C09357
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