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PICEASIDE-F;ISOMER-(7''-S*,8''-S*)
SpectraBase Compound ID IsFjRJMJWZP
InChI InChI=1S/C41H44O18/c1-53-28-13-20(5-6-26(28)46)38-39(21-11-23(45)15-25(12-21)55-41-37(52)35(50)33(48)31(17-43)59-41)56-27-7-4-18(10-29(27)57-38)2-3-19-8-22(44)14-24(9-19)54-40-36(51)34(49)32(47)30(16-42)58-40/h2-15,30-52H,16-17H2,1H3/b3-2+/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40-,41-/m1/s1
InChIKey PMHWRMWOQIKGCI-BPMIKCLUSA-N
Mol Weight 824.8 g/mol
Molecular Formula C41H44O18
Exact Mass 824.252765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LruXK4HgEng
Name PICEASIDE-F;ISOMER-(7''-S*,8''-S*)
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44O18
InChI InChI=1S/C41H44O18/c1-53-28-13-20(5-6-26(28)46)38-39(21-11-23(45)15-25(12-21)55-41-37(52)35(50)33(48)31(17-43)59-41)56-27-7-4-18(10-29(27)57-38)2-3-19-8-22(44)14-24(9-19)54-40-36(51)34(49)32(47)30(16-42)58-40/h2-15,30-52H,16-17H2,1H3/b3-2+/t30-,31-,32-,33-,34+,35+,36-,37-,38-,39-,40-,41-/m1/s1
InChIKey PMHWRMWOQIKGCI-BPMIKCLUSA-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 824.790 g/mol
Sample ID 42728
Solvent CD3OD