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PESTALOTHEOL_B
SpectraBase Compound ID 9BOfSm86FZ4
InChI InChI=1S/C16H24O5/c1-14(2)6-10(17)9-5-12-16(19,7-11(9)21-14)8-13(20-12)15(3,4)18/h12-13,18-19H,5-8H2,1-4H3/t12-,13+,16-/m0/s1
InChIKey SZJDSGYDVCCKMU-ZENOOKHLSA-N
Mol Weight 296.36 g/mol
Molecular Formula C16H24O5
Exact Mass 296.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGwLD7qQE89
Name PESTALOTHEOL_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24O5
InChI InChI=1S/C16H24O5/c1-14(2)6-10(17)9-5-12-16(19,7-11(9)21-14)8-13(20-12)15(3,4)18/h12-13,18-19H,5-8H2,1-4H3/t12-,13+,16-/m0/s1
InChIKey SZJDSGYDVCCKMU-ZENOOKHLSA-N
Literature Reference Author E.LI,R.TIAN,S.LIU,X.CHEN,L.GUO,Y.CHE
Literature Reference Citation J.NAT.PROD.,71,664(2008)
Literature Reference DOI 10.1021/np700744t
Molecular Weight 296.364 g/mol
Sample ID 27676
Solvent ACETONE-D6