John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4gAsPW69mt4 SpectraBase Spectrum ID=FWuuAvRngs9

(accessed ).
ACETYL_15-KETOATRACTYLIGENIN_METHYLESTER
SpectraBase Compound ID 4gAsPW69mt4
InChI InChI=1S/C22H30O5/c1-12-14-5-6-18-21(3)11-15(27-13(2)23)9-16(20(25)26-4)17(21)7-8-22(18,10-14)19(12)24/h14-18H,1,5-11H2,2-4H3/t14-,15-,16-,17-,18+,21-,22-/m1/s1
InChIKey WNMVKVJBOZDRSJ-WCODVZEUSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWuuAvRngs9
Name ACETYL_15-KETOATRACTYLIGENIN_METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-12-14-5-6-18-21(3)11-15(27-13(2)23)9-16(20(25)26-4)17(21)7-8-22(18,10-14)19(12)24/h14-18H,1,5-11H2,2-4H3/t14-,15-,16-,17-,18+,21-,22-/m1/s1
InChIKey WNMVKVJBOZDRSJ-WCODVZEUSA-N
Literature Reference Author S.ROSSELLI,M.BRUNO,A.MAGGIO,G.BELLONE,T.H.CHEN,K.F.BASTOW,K. H.LEE
Literature Reference Citation J.NAT.PROD.,70,347(2007)
Literature Reference DOI 10.1021/np060504w
Molecular Weight 374.477 g/mol
Sample ID 30022
Solvent CDCl3
SpectraBase Batch ID I13phpMby26