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

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4-[[(3,4-DIMETHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9hTHob4jYXu
InChI InChI=1S/C35H40O17/c1-44-22-11-7-20(13-25(22)46-3)32(42)47-14-18-4-10-23(24(12-18)45-2)51-33-29(39)28(38)27(37)26(52-33)15-48-34-30(40)35(43,17-50-34)16-49-31(41)19-5-8-21(36)9-6-19/h4-13,26-30,33-34,36-40,43H,14-17H2,1-3H3/t26-,27-,28+,29-,30+,33-,34-,35-/m0/s1
InChIKey JKYTVZRWAMCNJC-VIYZWCTMSA-N
Mol Weight 732.7 g/mol
Molecular Formula C35H40O17
Exact Mass 732.22655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjV6b0U6ROX
Name 4-[[(3,4-DIMETHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40O17
InChI InChI=1S/C35H40O17/c1-44-22-11-7-20(13-25(22)46-3)32(42)47-14-18-4-10-23(24(12-18)45-2)51-33-29(39)28(38)27(37)26(52-33)15-48-34-30(40)35(43,17-50-34)16-49-31(41)19-5-8-21(36)9-6-19/h4-13,26-30,33-34,36-40,43H,14-17H2,1-3H3/t26-,27-,28+,29-,30+,33-,34-,35-/m0/s1
InChIKey JKYTVZRWAMCNJC-VIYZWCTMSA-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 732.692 g/mol
Sample ID 54782
Solvent CD3OD