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(E)-HORDENINE-[6-O-(4-ACETOXY-CINNAMOYL)-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-3,4-DI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSIDE
SpectraBase Compound ID JDHxFTuCKKx
InChI InChI=1S/C43H53NO18/c1-23-36(55-25(3)46)38(57-27(5)48)41(42(53-23)60-33-17-12-31(13-18-33)20-21-44(8)9)62-43-40(59-29(7)50)39(58-28(6)49)37(56-26(4)47)34(61-43)22-52-35(51)19-14-30-10-15-32(16-11-30)54-24(2)45/h10-19,23,34,36-43H,20-22H2,1-9H3/b19-14+/t23-,34+,36-,37+,38+,39-,40+,41+,42-,43-/m0/s1
InChIKey CPVXSDJTMKKADW-WQGVQOGASA-N
Mol Weight 871.9 g/mol
Molecular Formula C43H53NO18
Exact Mass 871.326264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDB9nIa87C
Name (E)-HORDENINE-[6-O-(4-ACETOXY-CINNAMOYL)-2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANOSYL]-(1->2)-3,4-DI-O-ACETYL-ALPHA-L-RHAMNOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H53NO18
InChI InChI=1S/C43H53NO18/c1-23-36(55-25(3)46)38(57-27(5)48)41(42(53-23)60-33-17-12-31(13-18-33)20-21-44(8)9)62-43-40(59-29(7)50)39(58-28(6)49)37(56-26(4)47)34(61-43)22-52-35(51)19-14-30-10-15-32(16-11-30)54-24(2)45/h10-19,23,34,36-43H,20-22H2,1-9H3/b19-14+/t23-,34+,36-,37+,38+,39-,40+,41+,42-,43-/m0/s1
InChIKey CPVXSDJTMKKADW-WQGVQOGASA-N
Literature Reference Author L.R.CHAO,E.SEGUIN,A.L.SKALTSOUNIS,F.TILLEQUIN,M.KOCH
Literature Reference Citation J.NAT.PROD.,53,882(1990)
Literature Reference DOI 10.1021/np50070a016
Molecular Weight 871.890 g/mol
Solvent CDCl3
Source File Reference UWED16827