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(1-R,2-S,3-S,4-S,5-R,7-R,9-S,10-R)-2,3-DIACETOXY-1-BENZOYLOX-9-CIS-CINNAMOYLOXY-4-HYDROXYDIHYDRO-BETA-AGAROFURAN
SpectraBase Compound ID CcOiiJpwe98
InChI InChI=1S/C35H40O10/c1-21(36)41-28-29(44-31(39)24-15-11-8-12-16-24)33(5)26(43-27(38)18-17-23-13-9-7-10-14-23)19-25-20-35(33,45-32(25,3)4)34(6,40)30(28)42-22(2)37/h7-18,25-26,28-30,40H,19-20H2,1-6H3/b18-17-/t25-,26+,28+,29+,30+,33-,34+,35-/m1/s1
InChIKey QDISWXTVLYHRCQ-NJVBHSBISA-N
Mol Weight 620.7 g/mol
Molecular Formula C35H40O10
Exact Mass 620.262147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpUCZHUaCqb
Name (1-R,2-S,3-S,4-S,5-R,7-R,9-S,10-R)-2,3-DIACETOXY-1-BENZOYLOX-9-CIS-CINNAMOYLOXY-4-HYDROXYDIHYDRO-BETA-AGAROFURAN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H40O10
InChI InChI=1S/C35H40O10/c1-21(36)41-28-29(44-31(39)24-15-11-8-12-16-24)33(5)26(43-27(38)18-17-23-13-9-7-10-14-23)19-25-20-35(33,45-32(25,3)4)34(6,40)30(28)42-22(2)37/h7-18,25-26,28-30,40H,19-20H2,1-6H3/b18-17-/t25-,26+,28+,29+,30+,33-,34+,35-/m1/s1
InChIKey QDISWXTVLYHRCQ-NJVBHSBISA-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 620.697 g/mol
Sample ID 34395
Solvent CDCl3