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PICEASIDE-H;ISOMER-(7''-S*,8''-S*)

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PICEASIDE-H;ISOMER-(7''-S*,8''-S*)
SpectraBase Compound ID 2231cASM49
InChI InChI=1S/C40H42O18/c41-15-29-31(47)33(49)35(51)39(57-29)53-23-8-18(7-21(43)13-23)2-1-17-3-6-27-28(9-17)56-37(19-4-5-25(45)26(46)12-19)38(55-27)20-10-22(44)14-24(11-20)54-40-36(52)34(50)32(48)30(16-42)58-40/h1-14,29-52H,15-16H2/b2-1+/t29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
InChIKey JYCYRWROYQQHLP-WCEUVSJASA-N
Mol Weight 810.8 g/mol
Molecular Formula C40H42O18
Exact Mass 810.237114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHq2xyZRv4c
Name PICEASIDE-H;ISOMER-(7''-S*,8''-S*)
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O18
InChI InChI=1S/C40H42O18/c41-15-29-31(47)33(49)35(51)39(57-29)53-23-8-18(7-21(43)13-23)2-1-17-3-6-27-28(9-17)56-37(19-4-5-25(45)26(46)12-19)38(55-27)20-10-22(44)14-24(11-20)54-40-36(52)34(50)32(48)30(16-42)58-40/h1-14,29-52H,15-16H2/b2-1+/t29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-/m1/s1
InChIKey JYCYRWROYQQHLP-WCEUVSJASA-N
Literature Reference Author S.H.LI,X.M.NIU,S.ZAHN,J.GERSHENZON,J.WESTON,B.SCHNEIDER
Literature Reference Citation PHYTOCHEM.,69,772(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.08.033
Molecular Weight 810.763 g/mol
Sample ID 42730
Solvent CD3OD