Chem
J-GLOBAL ID：200907060702515486   Nikkaji number：J18.010F

Cycleanine

シクレアニン
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/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1
InChI key： ANOXEUSGZWSCQL-LOYHVIPDSA-N
SMILES： COc1cc2CCN(C)[C@@H]3Cc4ccc(Oc5c(OC)c(OC)cc6CCN(C)[C@H](Cc7ccc(Oc(c1OC)c23)cc7)c56)cc4
Systematic name  (4)：
  • シクレアニン
  • (1R)-2,2′-ジメチル-6,6′,7,7′-テトラメトキシ-7,18:11′,18-ジセコ-8,18:12′,18-ジシクロツボクララン
  • (11R,26R)-4,5,19,20-テトラメトキシ-10,25-ジメチル-2,17-ジオキサ-10,25-ジアザヘプタシクロ[26.2.2.213,16.13,7.118,22.011,36.026,33]ヘキサトリアコンタ-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-ドデカエン
  • (11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaene
Other name (4)：
  • Cycleanine
  • (1R)-2,2′-Dimethyl-6,6′,7,7′-tetramethoxy-7,18:11′,18-diseco-8,18:12′,18-dicyclotubocuraran
  • (-)-シクレアニン
  • (-)-Cycleanine
CAS registry number： 518-94-5
KEGG COMPOUND： C17387
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