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4-(4-HYDROXYPHENYL)-2-BUTANONE-4'-O-BETA-D-(6-O-GALLOYL-2-O-CINNAMOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 34ugMOkAFvo
InChI InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-26(36)14-11-19-5-3-2-4-6-19)29(39)28(38)25(43-32)17-41-31(40)21-15-23(34)27(37)24(35)16-21/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+/t25-,28-,29+,30-,32-/m1/s1
InChIKey AHHMQRHEIDUWPG-SIHJTGPPSA-N
Mol Weight 608.6 g/mol
Molecular Formula C32H32O12
Exact Mass 608.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KSvEr4N3OG
Name 4-(4-HYDROXYPHENYL)-2-BUTANONE-4'-O-BETA-D-(6-O-GALLOYL-2-O-CINNAMOYL)-GLUCOPYRANOSIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32O12
InChI InChI=1S/C32H32O12/c1-18(33)7-8-20-9-12-22(13-10-20)42-32-30(44-26(36)14-11-19-5-3-2-4-6-19)29(39)28(38)25(43-32)17-41-31(40)21-15-23(34)27(37)24(35)16-21/h2-6,9-16,25,28-30,32,34-35,37-39H,7-8,17H2,1H3/b14-11+/t25-,28-,29+,30-,32-/m1/s1
InChIKey AHHMQRHEIDUWPG-SIHJTGPPSA-N
Literature Reference Author W.FAN,Y.TEZUKA,S.KADOTA
Literature Reference Citation CHEM.PHARM.BULL.,48,1055(2000)
Literature Reference DOI 10.1248/cpb.48.1055
Molecular Weight 608.599 g/mol
Solvent CD3OD
Source File Reference UWVN4394