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[3R,6R,7R,(8E),10S,11S,(12E)]-MACROLACTONE

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[3R,6R,7R,(8E),10S,11S,(12E)]-MACROLACTONE
SpectraBase Compound ID 9AjUKRRQwrz
InChI InChI=1S/C18H27IO6/c1-11-5-6-15(24-13(3)20)18(4,23)8-7-14(21)9-16(22)25-17(11)12(2)10-19/h5-6,10-11,14-15,17,21,23H,7-9H2,1-4H3/b6-5+,12-10+/t11-,14+,15+,17-,18+/m0/s1
InChIKey SOQMPMPDUGKWRT-JDEMHGQISA-N
Mol Weight 466.31 g/mol
Molecular Formula C18H27IO6
Exact Mass 466.085234 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CFSF0j7cVF
Name [3R,6R,7R,(8E),10S,11S,(12E)]-MACROLACTONE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27IO6
InChI InChI=1S/C18H27IO6/c1-11-5-6-15(24-13(3)20)18(4,23)8-7-14(21)9-16(22)25-17(11)12(2)10-19/h5-6,10-11,14-15,17,21,23H,7-9H2,1-4H3/b6-5+,12-10+/t11-,14+,15+,17-,18+/m0/s1
InChIKey SOQMPMPDUGKWRT-JDEMHGQISA-N
Literature Reference Author S.MUELLER,F.SASSE,M.E.MAIER
Literature Reference Citation EUR.J.ORG.CHEM.,2014,1025(2014)
Literature Reference DOI 10.1002/ejoc.201301468
Molecular Weight 466.313 g/mol
Solvent CDCl3
Source File Reference UWIR18278