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4'-O-[BETA-D-APIOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-5-HYDROXYL-7-O-SINAPYLFLAVANONE
SpectraBase Compound ID HipvTJ84HYr
InChI InChI=1S/C37H40O18/c1-48-25-9-17(10-26(49-2)30(25)43)3-8-28(42)51-20-11-21(40)29-22(41)13-23(53-24(29)12-20)18-4-6-19(7-5-18)52-35-33(32(45)31(44)27(14-38)54-35)55-36-34(46)37(47,15-39)16-50-36/h3-12,23,27,31-36,38-40,43-47H,13-16H2,1-2H3/b8-3+/t23-,27-,31-,32+,33-,34-,35-,36+,37-/m0/s1
InChIKey PSZFXLHZWDZQMH-QXIHFPMUSA-N
Mol Weight 772.7 g/mol
Molecular Formula C37H40O18
Exact Mass 772.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8anoj4W5XKt
Name 4'-O-[BETA-D-APIOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL]-5-HYDROXYL-7-O-SINAPYLFLAVANONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O18
InChI InChI=1S/C37H40O18/c1-48-25-9-17(10-26(49-2)30(25)43)3-8-28(42)51-20-11-21(40)29-22(41)13-23(53-24(29)12-20)18-4-6-19(7-5-18)52-35-33(32(45)31(44)27(14-38)54-35)55-36-34(46)37(47,15-39)16-50-36/h3-12,23,27,31-36,38-40,43-47H,13-16H2,1-2H3/b8-3+/t23-,27-,31-,32+,33-,34-,35-,36+,37-/m0/s1
InChIKey PSZFXLHZWDZQMH-QXIHFPMUSA-N
Literature Reference Author M.I.CHOUDHARY,S.MAHER,A.BEGUM,A.ABBASHAN,S.ALI,A.KHAN,S.U.RE HMAN,A.U.RAHMAN
Literature Reference Citation CHEM.PHARM.BULL.,58,980(2010)
Literature Reference DOI 10.1248/cpb.58.980
Molecular Weight 772.714 g/mol
Source File Reference UWBT3700