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b-D-Glucopyranose,cyclic 3®2:6®2'-[(1R)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen (2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate) (9CI) (125445-50-3)

Identification
Name:b-D-Glucopyranose,cyclic 3®2:6®2'-[(1R)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen (2Z)-2-[(3S,4R)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-2-butenedioate]1-(3,4,5-trihydroxybenzoate) (9CI)
Synonyms:b-D-Glucopyranose,cyclic 3®2:6®2'-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]4-[4-hydrogen2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate]1-(3,4,5-trihydroxybenzoate), stereoisomer;8,12-Methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin, b-D-glucopyranosederiv.; Repandusinic acid B
CAS:125445-50-3
Molecular Formula: C48H34 O33
Molecular Weight: 1138.76376
InChI: InChI=1S/C48H34O33/c49-15-1-9(2-16(50)27(15)56)43(70)81-48-36(65)40-38(78-47(74)13(7-22(54)55)26-25-11(4-18(52)29(58)33(25)62)45(72)79-39(26)42(68)69)21(77-48)8-75-44(71)10-3-17(51)28(57)32(61)23(10)24-12(46(73)80-40)6-20(31(60)34(24)63)76-37-14(41(66)67)5-19(53)30(59)35(37)64/h1-7,21,26,36,38-40,48-53,56-65H,8H2,(H,54,55)(H,66,67)(H,68,69)
Molecular Structure: (C48H34O33) b-D-Glucopyranose,cyclic 3®2:6®2'-[4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentah...
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