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PECTINOLIDE-C;6S-[(3S-ACETYLOXY)-1-Z-HEPTENYL]-5S-HYDROXY-5,6-DIHYDRO-2H-PYRAN-3-ONE
SpectraBase Compound ID E5ov9CcjYpz
InChI InChI=1S/C14H20O5/c1-3-4-5-11(18-10(2)15)6-8-13-12(16)7-9-14(17)19-13/h6-9,11-13,16H,3-5H2,1-2H3/b8-6-/t11-,12+,13?/m0/s1
InChIKey DYWKRIWLCNEWRY-ZFECQPJHSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZxzjYBDp86
Name PECTINOLIDE-C;6S-[(3S-ACETYLOXY)-1-Z-HEPTENYL]-5S-HYDROXY-5,6-DIHYDRO-2H-PYRAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-3-4-5-11(18-10(2)15)6-8-13-12(16)7-9-14(17)19-13/h6-9,11-13,16H,3-5H2,1-2H3/b8-6-/t11-,12+,13?/m0/s1
InChIKey DYWKRIWLCNEWRY-ZFECQPJHSA-N
Literature Reference Author R.PEREDA-MIRANDA,L.HERNANDEZ,M.J.VILLAVICENCIO,M.NOVELO,P.IB ARRA,H.CHAI,J.M.PEZZ
Literature Reference Citation J.NAT.PROD.,56,583(1993)
Literature Reference DOI 10.1021/np50094a019
Molecular Weight 268.310 g/mol
Solvent CDCl3
Source File Reference UWCS5671