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REL-(1-S,2-R,3-R,5-S,7-R)-METHYL_7-CAFFEOYLOXYMETHYL-2-HYDROXY-3-FERULOYLOXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE
SpectraBase Compound ID BALFeZ4LD1y
InChI InChI=1S/C28H28O13/c1-36-20-12-16(4-8-18(20)30)6-10-24(33)39-21-13-28(27(35)37-2)40-22(26(41-28)25(21)34)14-38-23(32)9-5-15-3-7-17(29)19(31)11-15/h3-12,21-22,25-26,29-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,26-,28+/m1/s1
InChIKey YEMWKQFIGUCZFS-PBYGLRBLSA-N
Mol Weight 572.52 g/mol
Molecular Formula C28H28O13
Exact Mass 572.152991 g/mol
Enantiomer InChIKey YEMWKQFIGUCZFS-PZJJNBEISA-N
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