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6S-[3S,6S-(DIACETOXY)-5R-HYDROXY-1Z-HEPTENYL]-5S-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE;PECTINOLIDE-D
SpectraBase Compound ID DSgLDrY3Inv
InChI InChI=1S/C16H22O8/c1-9(22-10(2)17)14(20)8-12(23-11(3)18)4-6-15-13(19)5-7-16(21)24-15/h4-7,9,12-15,19-20H,8H2,1-3H3/b6-4-/t9-,12+,13+,14-,15+/m0/s1
InChIKey ZJUUDZGRQUKRFD-FBKWUXQBSA-N
Mol Weight 342.34 g/mol
Molecular Formula C16H22O8
Exact Mass 342.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcNRr5wqSrO
Name 6S-[3S,6S-(DIACETOXY)-5R-HYDROXY-1Z-HEPTENYL]-5S-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE;PECTINOLIDE-D
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O8
InChI InChI=1S/C16H22O8/c1-9(22-10(2)17)14(20)8-12(23-11(3)18)4-6-15-13(19)5-7-16(21)24-15/h4-7,9,12-15,19-20H,8H2,1-3H3/b6-4-/t9-,12+,13+,14-,15+/m0/s1
InChIKey ZJUUDZGRQUKRFD-FBKWUXQBSA-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 342.346 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWKP5655