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6S-[3S,5R,6S-(TRIACETOXY)-1Z-HEPTENYL]-5S-ACETOXY-4R-METHOXY-3,4,5,6-TETRAHYDRO-4H-PYRAN-2-ONE;PECTINOLIDE-F
SpectraBase Compound ID 7zl45pdx2ah
InChI InChI=1S/C21H30O11/c1-11(28-12(2)22)18(30-14(4)24)9-16(29-13(3)23)7-8-17-21(31-15(5)25)19(27-6)10-20(26)32-17/h7-8,11,16-19,21H,9-10H2,1-6H3/b8-7-/t11-,16+,17+,18-,19-,21-/m1/s1
InChIKey YNTIAHRXSYOOOL-VIBDCGCASA-N
Mol Weight 458.46 g/mol
Molecular Formula C21H30O11
Exact Mass 458.178812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlMb2G8CC4s
Name 6S-[3S,5R,6S-(TRIACETOXY)-1Z-HEPTENYL]-5S-ACETOXY-4R-METHOXY-3,4,5,6-TETRAHYDRO-4H-PYRAN-2-ONE;PECTINOLIDE-F
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O11
InChI InChI=1S/C21H30O11/c1-11(28-12(2)22)18(30-14(4)24)9-16(29-13(3)23)7-8-17-21(31-15(5)25)19(27-6)10-20(26)32-17/h7-8,11,16-19,21H,9-10H2,1-6H3/b8-7-/t11-,16+,17+,18-,19-,21-/m1/s1
InChIKey YNTIAHRXSYOOOL-VIBDCGCASA-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 458.463 g/mol
Solvent CDCl3
Source File Reference UWKP5657