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6S-[3S,5R,6S-(TRIACETOXY)-1Z-HEPTENYL]-5S-ACETOXY-5,6-DIHYDRO-2H-PYRAN-2-ONE;PECTINOLIDE-E
SpectraBase Compound ID GXjy0M9iHv2
InChI InChI=1S/C20H26O10/c1-11(26-12(2)21)19(29-15(5)24)10-16(27-13(3)22)6-7-18-17(28-14(4)23)8-9-20(25)30-18/h6-9,11,16-19H,10H2,1-5H3/b7-6-/t11-,16+,17+,18+,19-/m0/s1
InChIKey BCAJCHXPKGTADB-AVEGSAMFSA-N
Mol Weight 426.42 g/mol
Molecular Formula C20H26O10
Exact Mass 426.152597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aRtDJlE0kd
Name 6S-[3S,5R,6S-(TRIACETOXY)-1Z-HEPTENYL]-5S-ACETOXY-5,6-DIHYDRO-2H-PYRAN-2-ONE;PECTINOLIDE-E
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26O10
InChI InChI=1S/C20H26O10/c1-11(26-12(2)21)19(29-15(5)24)10-16(27-13(3)22)6-7-18-17(28-14(4)23)8-9-20(25)30-18/h6-9,11,16-19H,10H2,1-5H3/b7-6-/t11-,16+,17+,18+,19-/m0/s1
InChIKey BCAJCHXPKGTADB-AVEGSAMFSA-N
Literature Reference Author D.M.BOALINO,J.D.CONNOLLY,S.MCLEAN,W.F.REYNOLDS,W.F.TINTO
Literature Reference Citation PHYTOCHEM.,64,1303(2003)
Literature Reference DOI 10.1016/j.phytochem.2003.08.017
Molecular Weight 426.420 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWKP5656