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REL-(1-R,2-R,3-R,5-S,7-R)-METHYL_7-FERULOYLOXYMETHYL-2-FERULOYLOXY-3-HYDROXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE

View entire compound with spectra: 1 NMR

REL-(1-R,2-R,3-R,5-S,7-R)-METHYL_7-FERULOYLOXYMETHYL-2-FERULOYLOXY-3-HYDROXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE
SpectraBase Compound ID JqovoVZcYEE
InChI InChI=1S/C29H30O13/c1-36-21-12-16(4-8-18(21)30)6-10-24(33)39-15-23-27-26(20(32)14-29(41-23,42-27)28(35)38-3)40-25(34)11-7-17-5-9-19(31)22(13-17)37-2/h4-13,20,23,26-27,30-32H,14-15H2,1-3H3/b10-6+,11-7+/t20-,23-,26-,27-,29+/m1/s1
InChIKey GEBWPCUXWXNMBD-YTXQZANGSA-N
Mol Weight 586.55 g/mol
Molecular Formula C29H30O13
Exact Mass 586.168641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLfgrPhlA7R
Name REL-(1-R,2-R,3-R,5-S,7-R)-METHYL_7-FERULOYLOXYMETHYL-2-FERULOYLOXY-3-HYDROXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O13
InChI InChI=1S/C29H30O13/c1-36-21-12-16(4-8-18(21)30)6-10-24(33)39-15-23-27-26(20(32)14-29(41-23,42-27)28(35)38-3)40-25(34)11-7-17-5-9-19(31)22(13-17)37-2/h4-13,20,23,26-27,30-32H,14-15H2,1-3H3/b10-6+,11-7+/t20-,23-,26-,27-,29+/m1/s1
InChIKey GEBWPCUXWXNMBD-YTXQZANGSA-N
Literature Reference Author Y.DING,Y.SU,H.GUO,F.YANG,H.MAO,X.GAO,Z.ZHU,G.TU
Literature Reference Citation J.NAT.PROD.,73,270(2010)
Literature Reference DOI 10.1021/np900670b
Molecular Weight 586.549 g/mol
Sample ID 35023
Solvent DMSO-D6