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(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-Acetoxy-1,6,9-tribenzoyloxy-3,4- dihydroxydihydro-.beta.-agarofuran
SpectraBase Compound ID LfHAarQeDzv
InChI InChI=1S/C38H40O11/c1-22(39)45-28-29(40)37(5,44)38-30(47-33(42)24-17-11-7-12-18-24)26(35(2,3)49-38)21-27(46-32(41)23-15-9-6-10-16-23)36(38,4)31(28)48-34(43)25-19-13-8-14-20-25/h6-20,26-31,40,44H,21H2,1-5H3/t26-,27-,28+,29-,30+,31-,36+,37-,38+/m0/s1
InChIKey DVDRLVPFIGHWDV-PZGXGFFCSA-N
Mol Weight 672.7 g/mol
Molecular Formula C38H40O11
Exact Mass 672.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOacL7Xspaz
Name (1-R,2-S,3-S,4-S,5-S,6-R,7-R,9-S,10-R)-2-ACETOXY-1,6,9-TRIBENZOYLOXY-3,4-DIHYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40O11
InChI InChI=1S/C38H40O11/c1-22(39)45-28-29(40)37(5,44)38-30(47-33(42)24-17-11-7-12-18-24)26(35(2,3)49-38)21-27(46-32(41)23-15-9-6-10-16-23)36(38,4)31(28)48-34(43)25-19-13-8-14-20-25/h6-20,26-31,40,44H,21H2,1-5H3/t26-,27-,28+,29-,30+,31-,36+,37-,38+/m0/s1
InChIKey DVDRLVPFIGHWDV-PZGXGFFCSA-N
Literature Reference Author N.R.PERESTELO,I.A.JIMENEZ,H.TOKUDA,H.HAYASHI,I.L.BAZZOCCHI
Literature Reference Citation J.NAT.PROD.,73,127(2010)
Literature Reference DOI 10.1021/np900476a
Molecular Weight 672.729 g/mol
Sample ID 34399
Solvent CDCl3