John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=911iUxiyqKx SpectraBase Spectrum ID=2Abj0dy2xRE

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ALISIAQUINONE_B;FORM_B
SpectraBase Compound ID 911iUxiyqKx
InChI InChI=1S/C22H22O6/c1-21(10-23)5-4-6-22(2)14-8-11-12(17(25)16(28-3)9-15(11)24)7-13(14)18(26)19(27)20(21)22/h7-9,20,23H,4-6,10H2,1-3H3/t20-,21-,22-/m1/s1
InChIKey HZLWRSCQXFYUSH-YPAWHYETSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141639 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Abj0dy2xRE
Name ALISIAQUINONE_B;FORM_B
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-21(10-23)5-4-6-22(2)14-8-11-12(17(25)16(28-3)9-15(11)24)7-13(14)18(26)19(27)20(21)22/h7-9,20,23H,4-6,10H2,1-3H3/t20-,21-,22-/m1/s1
InChIKey HZLWRSCQXFYUSH-YPAWHYETSA-N
Literature Reference Author D.DESOUBZDANNE,L.MARCOURT,R.RAUX,S.CHEVALLY,D.DORIN,C.DOERIG ,A.VALENTIN,F.AUSSEI
Literature Reference Citation J.NAT.PROD.,71,1189(2008)
Literature Reference DOI 10.1021/np8000909
Molecular Weight 382.413 g/mol
Sample ID 28678
Solvent CDCl3
SpectraBase Batch ID JjFZ52OCg14