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(S)-4-(4-HYDROXYPHENYL)-2-BUTANOL-2-O-[6-O-(3,5-DIMETHOXY-4-O-ALPHA-RHAMNOPYRANOSYLGALLOYL)-BETA-D-GLUCOPYRANOSIDE]
SpectraBase Compound ID B0WH4xIF4dL
InChI InChI=1S/C31H42O15/c1-14(5-6-16-7-9-18(32)10-8-16)43-30-27(38)25(36)23(34)21(45-30)13-42-29(39)17-11-19(40-3)28(20(12-17)41-4)46-31-26(37)24(35)22(33)15(2)44-31/h7-12,14-15,21-27,30-38H,5-6,13H2,1-4H3/t14-,15-,21-,22-,23-,24+,25+,26+,27-,30-,31-/m0/s1
InChIKey CIHMYYKGIXISGM-ZDPIFXMZSA-N
Mol Weight 654.7 g/mol
Molecular Formula C31H42O15
Exact Mass 654.252371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FceKq0ogPYH
Name (S)-4-(4-HYDROXYPHENYL)-2-BUTANOL-2-O-[6-O-(3,5-DIMETHOXY-4-O-ALPHA-RHAMNOPYRANOSYLGALLOYL)-BETA-D-GLUCOPYRANOSIDE]
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O15
InChI InChI=1S/C31H42O15/c1-14(5-6-16-7-9-18(32)10-8-16)43-30-27(38)25(36)23(34)21(45-30)13-42-29(39)17-11-19(40-3)28(20(12-17)41-4)46-31-26(37)24(35)22(33)15(2)44-31/h7-12,14-15,21-27,30-38H,5-6,13H2,1-4H3/t14-,15-,21-,22-,23-,24+,25+,26+,27-,30-,31-/m0/s1
InChIKey CIHMYYKGIXISGM-ZDPIFXMZSA-N
Literature Reference Author Y.SHIKISHIMA,Y.TAKAISHI,G.HONDA,M.ITO,Y.TAKEDA,O.K.KODZHIMAT OV,O.ASHURMETOV
Literature Reference Citation PHYTOCHEM.,56,377(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00370-8
Molecular Weight 654.665 g/mol
Solvent CD3OD
Source File Reference UWVN1756