b-D-Glucopyranose, cyclic 4®7:6®5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate]cyclic 2,3-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate) (9CI) | 160472-92-4

b-D-Glucopyranose, cyclic 4®7:6®5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate]cyclic 2,3-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate) (9CI)
英文名称:b-D-Glucopyranose, cyclic 4®7:6®5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate]cyclic 2,3-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate) (9CI)
CAS No.:160472-92-4
分子式:C41H28O27 分子量:952.64482
名称和标识符
  • InChIKey:BASPTXMVZRITQV-YEIDWJMESA-N
  • Inchi:InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32(65-36(56)9-3-15(44)25(49)28(52)20(9)21-10(37(57)66-33)4-16(45)26(50)29(21)53)30-18(63-39)7-62-35(55)12-6-19(47)41(61)40(59,60)23(12)22-11(38(58)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23?,30-,32+,33-,39+,41-/m1/s1
  • SMILES:O1C2C(=C(C=C3C(=O)O[C@@H]4[C@@H](COC(C5=CC([C@@]1(C(C5C=23)(O)O)O)=O)=O)O[C@H]([C@H]1[C@H]4OC(C2=CC(=C(C(=C2C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)O)O
英文别名
  • 5-(3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate)cyclic 2,3-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)1-(3,4,5-trihydroxybenzoate), stereoisomer
  • 5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate]cyclic 2,3-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-
  • 5-[(2S,6S)-3,6-dihydro-2,9,10,11,11-pentahydroxy-3-oxo-2,6-methano-2H-1-benzoxocin-5,7-dicarboxylate]cyclic 2,3-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]1-(3,4,5-trihydroxybenzoate) (9CI)
  • 7:6&reg
  • b-D-Glucopyranose, cyclic 4&reg
  • Brediatin A