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1,3-DI-O-(3,4-BIS-(3,4-DIHYDROXYPHENYL)-CYClOBUTANE-1,2-DICARBONYL)-4,5-DI-O-CAFFEOYLQUINIC-ACID
SpectraBase Compound ID IQxreN3qNHD
InChI InChI=1S/C43H36O18/c44-23-7-1-19(13-27(23)48)3-11-33(52)58-31-17-43(42(56)57)18-32(39(31)60-34(53)12-4-20-2-8-24(45)28(49)14-20)59-40(54)37-35(21-5-9-25(46)29(50)15-21)36(38(37)41(55)61-43)22-6-10-26(47)30(51)16-22/h1-16,31-32,35-39,44-51H,17-18H2,(H,56,57)/b11-3+,12-4+/t31-,32+,35?,36?,37?,38?,39-,43+/m0/s1
InChIKey AYNWTILKWXURJB-CHODKNIZSA-N
Mol Weight 840.7 g/mol
Molecular Formula C43H36O18
Exact Mass 840.190164 g/mol
Enantiomer InChIKey AYNWTILKWXURJB-PBYWEUGGSA-N
Unknown Identification

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