For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

REL-(1-S,2-R,3-R,5-S,7-R)-METHYL_7-CAFFEOYLOXYMETHYL-2-HYDROXY-3-FERULOYLOXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE
SpectraBase Compound ID BALFeZ4LD1y
InChI InChI=1S/C28H28O13/c1-36-20-12-16(4-8-18(20)30)6-10-24(33)39-21-13-28(27(35)37-2)40-22(26(41-28)25(21)34)14-38-23(32)9-5-15-3-7-17(29)19(31)11-15/h3-12,21-22,25-26,29-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,26-,28+/m1/s1
InChIKey YEMWKQFIGUCZFS-PBYGLRBLSA-N
Mol Weight 572.52 g/mol
Molecular Formula C28H28O13
Exact Mass 572.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 68dEpoxQAHC
Name REL-(1-S,2-R,3-R,5-S,7-R)-METHYL_7-CAFFEOYLOXYMETHYL-2-HYDROXY-3-FERULOYLOXY-6,8-DIOXABICYCLO-[3.2.1]-OCTANE-5-CARBOXYLATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O13
InChI InChI=1S/C28H28O13/c1-36-20-12-16(4-8-18(20)30)6-10-24(33)39-21-13-28(27(35)37-2)40-22(26(41-28)25(21)34)14-38-23(32)9-5-15-3-7-17(29)19(31)11-15/h3-12,21-22,25-26,29-31,34H,13-14H2,1-2H3/b9-5+,10-6+/t21-,22-,25-,26-,28+/m1/s1
InChIKey YEMWKQFIGUCZFS-PBYGLRBLSA-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 572.523 g/mol
Sample ID 35021
Solvent DMSO-D6