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ISOKOTOMOLIDE_A;(4-S,3-E)-4-HYDROXY-5-METHYLENE-3-OCTYLIDENEDIHYDROFURAN-2-ONE
SpectraBase Compound ID 1KFuL4lfz84
InChI InChI=1S/C13H20O3/c1-3-4-5-6-7-8-9-11-12(14)10(2)16-13(11)15/h9,12,14H,2-8H2,1H3/b11-9+/t12-/m1/s1
InChIKey GTRPOAYDIMUHJJ-LMMOQWNQSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aHxjM208Pp
Name ISOKOTOMOLIDE_A;(4-S,3-E)-4-HYDROXY-5-METHYLENE-3-OCTYLIDENEDIHYDROFURAN-2-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-4-5-6-7-8-9-11-12(14)10(2)16-13(11)15/h9,12,14H,2-8H2,1H3/b11-9+/t12-/m1/s1
InChIKey GTRPOAYDIMUHJJ-LMMOQWNQSA-N
Literature Reference Author C.H.CHEN,W.L.LO,Y.C.LIU,C.Y.CHEN
Literature Reference Citation J.NAT.PROD.,69,927(2006)
Literature Reference DOI 10.1021/np060107l
Molecular Weight 224.300 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ18579