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(1R*,2S*,3S*,4R*,5R*,6R*,8S*,12S*,14R*,15R*)-1,5,8,14-TETRAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
SpectraBase Compound ID KLziDeV2a58
InChI InChI=1S/C35H44O12/c1-17-25(46-28(40)22-13-11-10-12-14-22)24-27(44-19(3)37)32(8)16-34(47-21(5)39)23(15-31(6,7)29(34)41)33(32,9)30(45-20(4)38)35(24,42)26(17)43-18(2)36/h10-14,17,23-27,30,42H,15-16H2,1-9H3/t17-,23+,24-,25+,26-,27-,30-,32+,33-,34+,35+/m1/s1
InChIKey SJGCQOVOMXNEOA-SSCWBVFASA-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 CxDfvLzA5z4
Name (1R*,2S*,3S*,4R*,5R*,6R*,8S*,12S*,14R*,15R*)-1,5,8,14-TETRAACETOXY-3-BENZOYLOXY-15-HYDROXY-9-OXO-PARALIANE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44O12
InChI InChI=1S/C35H44O12/c1-17-25(46-28(40)22-13-11-10-12-14-22)24-27(44-19(3)37)32(8)16-34(47-21(5)39)23(15-31(6,7)29(34)41)33(32,9)30(45-20(4)38)35(24,42)26(17)43-18(2)36/h10-14,17,23-27,30,42H,15-16H2,1-9H3/t17-,23+,24-,25+,26-,27-,30-,32+,33-,34+,35+/m1/s1
InChIKey SJGCQOVOMXNEOA-SSCWBVFASA-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 UWMS829