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(3-R,4-S,5-R)-3,4-ISOPROPYLIDENEDIOXY-5-HYDROXY-1-(METHOXYCARBONYLMETHYLENE)-CYCLOHEXANE
SpectraBase Compound ID 4Ey31AuEODm
InChI InChI=1S/C12H18O5/c1-12(2)16-9-5-7(6-10(14)15-3)4-8(13)11(9)17-12/h6,8-9,11,13H,4-5H2,1-3H3/b7-6+/t8-,9-,11+/m1/s1
InChIKey XWMHSNAMXDQUDH-AJVNMZAISA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9cua9A9BrP
Name (3-R,4-S,5-R)-3,4-ISOPROPYLIDENEDIOXY-5-HYDROXY-1-(METHOXYCARBONYLMETHYLENE)-CYCLOHEXANE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-12(2)16-9-5-7(6-10(14)15-3)4-8(13)11(9)17-12/h6,8-9,11,13H,4-5H2,1-3H3/b7-6+/t8-,9-,11+/m1/s1
InChIKey XWMHSNAMXDQUDH-AJVNMZAISA-N
Literature Reference Author I.F.PELYVAS,Z.G.TOTH,G.VEREB,A.BALLA,E.KOVACS,A.GORZSAS,F.SZ TARICSKAI,P.GERGELY
Literature Reference Citation J.MED.CHEM.,44,627(2001)
Literature Reference DOI 10.1021/jm001081c
Molecular Weight 242.272 g/mol
Sample ID 43855
Solvent CDCl3