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(1R*,2R*,3S*,4R*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-1,5,14,17-TETRAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
SpectraBase Compound ID 4OHtPVFlMvm
InChI InChI=1S/C35H44O12/c1-17-26(47-30(41)22-12-10-9-11-13-22)25-29(45-20(4)38)34(16-43-18(2)36)14-23-24(15-32(6,7)27(23)40)33(34,8)31(46-21(5)39)35(25,42)28(17)44-19(3)37/h9-13,17,23-26,28-29,31,42H,14-16H2,1-8H3/t17-,23-,24-,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
InChIKey WWWGOMJSMDSXJH-KDRXUZEESA-N
Mol Weight 656.7 g/mol
Molecular Formula C35H44O12
Exact Mass 656.283277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FTesSjgdVK
Name (1R*,2R*,3S*,4R*,5R*,6R*,8R*,12R*,13S*,14R*,15R*)-1,5,14,17-TETRAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O12
InChI InChI=1S/C35H44O12/c1-17-26(47-30(41)22-12-10-9-11-13-22)25-29(45-20(4)38)34(16-43-18(2)36)14-23-24(15-32(6,7)27(23)40)33(34,8)31(46-21(5)39)35(25,42)28(17)44-19(3)37/h9-13,17,23-26,28-29,31,42H,14-16H2,1-8H3/t17-,23-,24-,25-,26+,28+,29-,31-,33-,34-,35+/m1/s1
InChIKey WWWGOMJSMDSXJH-KDRXUZEESA-N
Literature Reference Author J.JAKUPOVIC,F.JESKE,T.MORGENSTERN,F.TSICHRITZIS,J.A.MARCO,W. BERENDSOHN
Literature Reference Citation PHYTOCHEM.,47,1583(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00830-3
Molecular Weight 656.727 g/mol
Solvent CDCl3
Source File Reference UWMS832