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1:4® (144860-80-0)

Identification
Name:1:4®
Synonyms:b-D-Glucopyranose, 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-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,5-dihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate),cyclic 2®1:4®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)]-;42H-15,18-Etheno-43,47-metheno-14H,24H,53H-benzo[l]bisdibenzo[7',8':9',10'][1,5]dioxacycloundecino[2',3':5,6]pyrano[2,3-h:2',3'-v][1,7,10,14,21,24]benzohexaoxacycloheptacosin,b-D-glucopyranose deriv.;Hirtellin C;b-D-Glucopyranose, 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-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-3,5-dihydroxybenzoate]3-(3,4,5-trihydroxybenzoate), cyclic 2®1:4®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:144860-80-0
Molecular Formula: C82H56 O52
Molecular Weight: 1873.29084
InChI: InChI=1S/C82H56O52/c83-27-1-17(2-28(84)47(27)96)71(111)129-67-65-41(15-121-75(115)21-9-32(88)50(99)56(105)43(21)45-23(77(117)127-65)11-34(90)52(101)58(45)107)124-81-69(67)131-79(119)25-13-36(92)54(103)60(109)62(25)123-40-8-20(5-31(87)49(40)98)74(114)134-82-70(132-80(120)26-14-37(93)55(104)61(110)63(26)126-64-38(94)6-19(7-39(64)95)73(113)133-81)68(130-72(112)18-3-29(85)48(97)30(86)4-18)66-42(125-82)16-122-76(116)22-10-33(89)51(100)57(106)44(22)46-24(78(118)128-66)12-35(91)53(102)59(46)108/h1-14,41-42,65-70,81-110H,15-16H2/t41-,42-,65-,66-,67+,68+,69-,70-,81+,82+/m1/s1
Molecular Structure: (C82H56O52) b-D-Glucopyranose, cyclic4,6-(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate)2-[2-(5-c...
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