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PESTALOFICIOL_G
SpectraBase Compound ID JcDB5heBkP2
InChI InChI=1S/C16H22O4/c1-9(2)5-6-10-14(19)12(17)7-11-13(18)8-16(3,4)20-15(10)11/h5-6,12,14,17,19H,7-8H2,1-4H3/b10-6+/t12-,14+/m0/s1
InChIKey DVORNMLMLUVMKJ-VABZHALQSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GA3t2Q6Jjj9
Name PESTALOFICIOL_G
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-9(2)5-6-10-14(19)12(17)7-11-13(18)8-16(3,4)20-15(10)11/h5-6,12,14,17,19H,7-8H2,1-4H3/b10-6+/t12-,14+/m0/s1
InChIKey DVORNMLMLUVMKJ-VABZHALQSA-N
Literature Reference Author L.LIU,S.LIU,S.NIU,L.GUO,X.CHEN,Y.CHE
Literature Reference Citation J.NAT.PROD.,72,1482(2009)
Literature Reference DOI 10.1021/np900308s
Molecular Weight 278.348 g/mol
Sample ID 33378
Solvent ACETONE-D6