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1:1® (143201-46-1)

Identification
Name:1:1®
Synonyms:b-D-Allopyranose, cyclic4,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)2-[2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate]1-[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoate]3-(3,4,5-trihydroxybenzoate), cyclic 2®1:1®2-ester with b-D-glucopyranose cyclic4,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)3-(3,4,5-trihydroxybenzoate), [1(S),4(S)]-;14H,43H-15,19:44,48-Dimetheno-22H,51H-dibenzo[f,t]bisdibenzo[7',8':9',10'][1,5]dioxacycloundecino[2',3':5,6]pyrano[2,3-b:2',3'-p][1,4,8,15,18,22]hexaoxacyclooctacosin,b-D-allopyranose deriv.;Isohirtellin C;b-D-Allopyranose, cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-(5-carboxy-2,3-dihydroxyphenoxy)-3,4,5-trihydroxybenzoate]1-[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoate]3-(3,4,5-trihydroxybenzoate), cyclic 2®1:1®2-ester with b-D-glucopyranose cyclic4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]3-(3,4,5-trihydroxybenzoate) (9CI)
CAS:143201-46-1
Molecular Formula: C82H56 O52
Molecular Weight: 1873.29084
InChI: InChI=1S/C82H56O52/c83-27-1-17(2-28(84)47(27)95)71(111)129-67-65-41(15-121-75(115)21-9-33(89)51(99)57(105)43(21)45-23(77(117)127-65)11-35(91)53(101)59(45)107)125-81-69(67)131-79(119)25-13-37(93)55(103)61(109)63(25)123-40-8-20(6-32(88)50(40)98)74(114)134-82-70(132-80(120)26-14-38(94)56(104)62(110)64(26)124-39-7-19(73(113)133-81)5-31(87)49(39)97)68(130-72(112)18-3-29(85)48(96)30(86)4-18)66-42(126-82)16-122-76(116)22-10-34(90)52(100)58(106)44(22)46-24(78(118)128-66)12-36(92)54(102)60(46)108/h1-14,41-42,65-70,81-110H,15-16H2
Molecular Structure: (C82H56O52) b-D-Allopyranose, cyclic4,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)2-[2-(5-ca...
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