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PTEROGYNOSIDE;KAEMPFEROL-3-O-(3''-O-4'''-METHYLGALLATE-ALPHA-L-RHAMNOSIDE)
SpectraBase Compound ID I8XIKtOfTSh
InChI InChI=1S/C29H26O14/c1-11-21(35)26(42-28(38)13-7-17(33)25(39-2)18(34)8-13)23(37)29(40-11)43-27-22(36)20-16(32)9-15(31)10-19(20)41-24(27)12-3-5-14(30)6-4-12/h3-11,21,23,26,29-35,37H,1-2H3/t11-,21-,23+,26+,29-/m0/s1
InChIKey AYSKZHKNQWJAPA-BACFJZBESA-N
Mol Weight 598.51 g/mol
Molecular Formula C29H26O14
Exact Mass 598.132256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47txWU03z6z
Name PTEROGYNOSIDE;KAEMPFEROL-3-O-(3''-O-4'''-METHYLGALLATE-ALPHA-L-RHAMNOSIDE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O14
InChI InChI=1S/C29H26O14/c1-11-21(35)26(42-28(38)13-7-17(33)25(39-2)18(34)8-13)23(37)29(40-11)43-27-22(36)20-16(32)9-15(31)10-19(20)41-24(27)12-3-5-14(30)6-4-12/h3-11,21,23,26,29-35,37H,1-2H3/t11-,21-,23+,26+,29-/m0/s1
InChIKey AYSKZHKNQWJAPA-BACFJZBESA-N
Literature Reference Author L.O.REGASINI,J.C.R.VELLOSA,D.H.S.SILVA,M.FURLAN,O.M.M.D.OLIV EIRA,N.M.KHALIL,I.L.
Literature Reference Citation PHYTOCHEM.,69,1739(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.01.006
Molecular Weight 598.517 g/mol
Sample ID 40737
Solvent CD3OD