3,4-dimethoxybenzoic acid [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-1-keto-3-methyl-isochroman-6-yl)oxy-tetrahydropyran-2-yl]methoxy]tetrahydrofuran-3-yl]methyl ester

SpectraBase Compound ID	3y4cmHV5qho
InChI	InChI=1S/C30H36O16/c1-13-6-15-7-16(9-17(31)21(15)27(37)44-13)45-28-24(34)23(33)22(32)20(46-28)10-41-29-25(35)30(38,12-43-29)11-42-26(36)14-4-5-18(39-2)19(8-14)40-3/h4-5,7-9,13,20,22-25,28-29,31-35,38H,6,10-12H2,1-3H3/t13?,20-,22-,23+,24-,25+,28-,29-,30-/m1/s1
InChIKey	QSUIILJSPQGUMV-RAOOWZIISA-N Google Search
Mol Weight	652.6 g/mol
Molecular Formula	C30H36O16
Exact Mass	652.200335 g/mol

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SpectraBase Spectrum ID	Lb9BhdHk2U1
Name	3,4-dimethoxybenzoic acid [(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(8-hydroxy-1-keto-3-methyl-isochroman-6-yl)oxy-tetrahydropyran-2-yl]methoxy]tetrahydrofuran-3-yl]methyl ester
Compound Number	16
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C30H36O16
InChI	InChI=1S/C30H36O16/c1-13-6-15-7-16(9-17(31)21(15)27(37)44-13)45-28-24(34)23(33)22(32)20(46-28)10-41-29-25(35)30(38,12-43-29)11-42-26(36)14-4-5-18(39-2)19(8-14)40-3/h4-5,7-9,13,20,22-25,28-29,31-35,38H,6,10-12H2,1-3H3/t13?,20-,22-,23+,24-,25+,28-,29-,30-/m1/s1
InChIKey	QSUIILJSPQGUMV-RAOOWZIISA-N
Literature Reference Author	T.WARASHINA,Y.NAGATANI,T.NORO
Literature Reference Citation	PHYTOCHEM.,65,2003(2004)
Literature Reference DOI	10.1016/j.phytochem.2004.06.012
Molecular Weight	652.606 g/mol
Solvent	CD3OD
Source File Reference	UWVN29943