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4-[[(3,4-DIMETHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE

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4-[[(3,4-DIMETHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID Doc5KmYOtSv
InChI InChI=1S/C37H44O18/c1-45-22-10-7-20(13-26(22)48-4)33(42)50-15-19-6-9-24(25(12-19)47-3)54-35-31(40)30(39)29(38)28(55-35)16-51-36-32(41)37(44,18-53-36)17-52-34(43)21-8-11-23(46-2)27(14-21)49-5/h6-14,28-32,35-36,38-41,44H,15-18H2,1-5H3/t28-,29-,30+,31-,32+,35-,36-,37-/m0/s1
InChIKey NFUXKMNPXOYFNF-TVLGDHEBSA-N
Mol Weight 776.7 g/mol
Molecular Formula C37H44O18
Exact Mass 776.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XtSZw2p57P
Name 4-[[(3,4-DIMETHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(3,4-DIMETHOXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H44O18
InChI InChI=1S/C37H44O18/c1-45-22-10-7-20(13-26(22)48-4)33(42)50-15-19-6-9-24(25(12-19)47-3)54-35-31(40)30(39)29(38)28(55-35)16-51-36-32(41)37(44,18-53-36)17-52-34(43)21-8-11-23(46-2)27(14-21)49-5/h6-14,28-32,35-36,38-41,44H,15-18H2,1-5H3/t28-,29-,30+,31-,32+,35-,36-,37-/m0/s1
InChIKey NFUXKMNPXOYFNF-TVLGDHEBSA-N
Literature Reference Author T.WARASHINA,Y.NAGATANI,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,54,14(2006)
Literature Reference DOI 10.1248/cpb.54.14
Molecular Weight 776.746 g/mol
Sample ID 54781
Solvent CD3OD