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6S-[1,2-DI-ACETYLOXY-3-(CHLOROACETYLOXY)-HEPTANYL]-5S-ACETYLOXY-5,6-DIHYDRO-2H-PYRAN-3-ONE
SpectraBase Compound ID EP2R3QfDedA
InChI InChI=1S/C20H27ClO10/c1-5-6-7-14(30-17(26)10-21)18(28-12(3)23)20(29-13(4)24)19-15(27-11(2)22)8-9-16(25)31-19/h8-9,14-15,18-20H,5-7,10H2,1-4H3/t14-,15-,18-,19?,20-/m1/s1
InChIKey KXDJKKOPESVDBF-AXTYOICGSA-N
Mol Weight 462.88 g/mol
Molecular Formula C20H27ClO10
Exact Mass 462.129275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVSwuqhoXfg
Name 6S-[1,2-DI-ACETYLOXY-3-(CHLOROACETYLOXY)-HEPTANYL]-5S-ACETYLOXY-5,6-DIHYDRO-2H-PYRAN-3-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27ClO10
InChI InChI=1S/C20H27ClO10/c1-5-6-7-14(30-17(26)10-21)18(28-12(3)23)20(29-13(4)24)19-15(27-11(2)22)8-9-16(25)31-19/h8-9,14-15,18-20H,5-7,10H2,1-4H3/t14-,15-,18-,19?,20-/m1/s1
InChIKey KXDJKKOPESVDBF-AXTYOICGSA-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 462.881 g/mol
Solvent CDCl3
Source File Reference UWCS5674