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9'-O-BUTYL-3-O-DEMETHYL-9-O-BETA-D-GLUCOPYRANOSYLDEHYDROCONIFERYL_ALCOHOL
SpectraBase Compound ID 6CAqwhzqOld
InChI InChI=1S/C29H38O11/c1-3-4-9-37-10-5-6-16-11-18-19(15-38-29-26(35)25(34)24(33)23(14-30)39-29)27(40-28(18)21(32)12-16)17-7-8-20(31)22(13-17)36-2/h5-8,11-13,19,23-27,29-35H,3-4,9-10,14-15H2,1-2H3/b6-5+/t19-,23-,24-,25+,26-,27+,29-/m1/s1
InChIKey QJHORNPMBBCWTM-KXUJZNGHSA-N
Mol Weight 562.6 g/mol
Molecular Formula C29H38O11
Exact Mass 562.241412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVnuplV5Tw3
Name 9'-O-BUTYL-3-O-DEMETHYL-9-O-BETA-D-GLUCOPYRANOSYLDEHYDROCONIFERYL_ALCOHOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O11
InChI InChI=1S/C29H38O11/c1-3-4-9-37-10-5-6-16-11-18-19(15-38-29-26(35)25(34)24(33)23(14-30)39-29)27(40-28(18)21(32)12-16)17-7-8-20(31)22(13-17)36-2/h5-8,11-13,19,23-27,29-35H,3-4,9-10,14-15H2,1-2H3/b6-5+/t19-,23-,24-,25+,26-,27+,29-/m1/s1
InChIKey QJHORNPMBBCWTM-KXUJZNGHSA-N
Literature Reference Author J.J.ARAYA,K.KINDSCHER,B.N.TIMMERMANN
Literature Reference Citation J.NAT.PROD.,75,400(2012)
Literature Reference DOI 10.1021/np2008076
Molecular Weight 562.614 g/mol
Sample ID 40145
Solvent C5D5N