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(E)-4-[(1R,4S,5S,6S)-4,5-dihydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
SpectraBase Compound ID GGZMz2n9WgX
InChI InChI=1S/C13H20O4/c1-8(14)5-6-13-11(2,3)7-9(15)10(16)12(13,4)17-13/h5-6,9-10,15-16H,7H2,1-4H3/b6-5+/t9-,10-,12-,13+/m0/s1
InChIKey RTCRJMXTADHDAU-HTYXLBHCSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkKHy3FZRyi
Name (E)-4-[(1R,4S,5S,6S)-4,5-dihydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]but-3-en-2-one
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-8(14)5-6-13-11(2,3)7-9(15)10(16)12(13,4)17-13/h5-6,9-10,15-16H,7H2,1-4H3/b6-5+/t9-,10-,12-,13+/m0/s1
InChIKey RTCRJMXTADHDAU-HTYXLBHCSA-N
Literature Reference Author H.XIE,T.WANG,H.MATSUDA,T.MORIKAWA,M.YOSHIKAWA,T.TANI
Literature Reference Citation CHEM.PHARM.BULL.,53,1416(2005)
Literature Reference DOI 10.1248/cpb.53.1416
Molecular Weight 240.299 g/mol
Sample ID 33421
Solvent CDCl3