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2'-(4-Hydroxy-benzoyl)-mussaenosidic acid, tetraacetate
SpectraBase Compound ID H1Pw36jxFXr
InChI InChI=1S/C31H36O16/c1-14(32)40-13-22-24(43-16(3)34)25(44-17(4)35)26(46-28(38)18-6-8-19(9-7-18)42-15(2)33)30(45-22)47-29-23-20(10-11-31(23,5)39)21(12-41-29)27(36)37/h6-9,12,20,22-26,29-30,39H,10-11,13H2,1-5H3,(H,36,37)/t20?,22-,23?,24+,25-,26+,29?,30+,31?/m0/s1
InChIKey ITWQXKDSVVCMBZ-NDLUROMXSA-N
Mol Weight 664.6 g/mol
Molecular Formula C31H36O16
Exact Mass 664.200335 g/mol
Enantiomer InChIKey ITWQXKDSVVCMBZ-QMDPDEMMSA-N
Unknown Identification

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