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

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[3R,6R,7S,(8E),10S,11S,(12E)]-MACROLACTONE
SpectraBase Compound ID EdYMFng2BLx
InChI InChI=1S/C28H49IO8Si/c1-20-11-12-24(35-22(3)30)28(7,34-19-33-16-15-32-8)14-13-23(37-38(9,10)27(4,5)6)17-25(31)36-26(20)21(2)18-29/h11-12,18,20,23-24,26H,13-17,19H2,1-10H3/b12-11+,21-18+/t20-,23+,24-,26-,28+/m0/s1
InChIKey PEVNQIJGZJRDLP-JXKBNNTPSA-N
Mol Weight 668.7 g/mol
Molecular Formula C28H49IO8Si
Exact Mass 668.22414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4roabmtPmsh
Name [3R,6R,7S,(8E),10S,11S,(12E)]-MACROLACTONE
Compound Number 47
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H49IO8Si
InChI InChI=1S/C28H49IO8Si/c1-20-11-12-24(35-22(3)30)28(7,34-19-33-16-15-32-8)14-13-23(37-38(9,10)27(4,5)6)17-25(31)36-26(20)21(2)18-29/h11-12,18,20,23-24,26H,13-17,19H2,1-10H3/b12-11+,21-18+/t20-,23+,24-,26-,28+/m0/s1
InChIKey PEVNQIJGZJRDLP-JXKBNNTPSA-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 668.682 g/mol
Solvent CDCl3
Source File Reference UWIR18284