Free release

125516-10-1 repandusinic acid a

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Product Name repandusinic acid A
CAS No. 125516-10-1
Synonyms Repandusinic acid A; beta-D-Glucopyranose, cyclic 3,6-(4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 4-(4-hydrogen 2-(3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl)-2-butenedioate) 1-(3,4,5-trihydroxybenzoate), stereoisomer; 4-[1-carboxy-3-({1,2,3,11,16,17,18-heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-19-yl}oxy)-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid; (3S,4R)-4-[(1Z)-1-carboxy-3-({(8R,10S,11R,12R,19R)-1,2,3,11,16,17,18-heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-19-yl}oxy)-3-oxoprop-1-en-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid
InChI InChI=1/C41H30O28/c42-13-1-8(2-14(43)24(13)49)36(59)69-41-31(56)34-32(66-40(63)12(6-19(47)48)23-22-11(5-17(46)27(52)30(22)55)38(61)67-33(23)35(57)58)18(65-41)7-64-37(60)9-3-15(44)25(50)28(53)20(9)21-10(39(62)68-34)4-16(45)26(51)29(21)54/h1-6,18,23,31-34,41-46,49-56H,7H2,(H,47,48)(H,57,58)/b12-6-/t18-,23+,31-,32-,33+,34-,41+/m1/s1
Molecular Formula C41H30O28
Molecular Weight 970.6601
Density 2.172g/cm3
Boiling point 1610.214°C at 760 mmHg
Flash point 477.981°C
Refractive index 1.896