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KLEINIOXANTHRONE-3;1,8-DIHYDROXY-3-METHYL-9(10H)-ANTHRACENONE-10-OXYHEXADECANOATE
SpectraBase Compound ID 4ansFnW0tmV
InChI InChI=1S/C31H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27(34)36-31-23-17-16-18-25(32)28(23)30(35)29-24(31)20-22(2)21-26(29)33/h16-18,20-21,31-33H,3-15,19H2,1-2H3
InChIKey KLZLSRCDCWZALP-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C31H42O5
Exact Mass 494.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vfUrhbk7dm
Name KLEINIOXANTHRONE-3;1,8-DIHYDROXY-3-METHYL-9(10H)-ANTHRACENONE-10-OXYHEXADECANOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H42O5
InChI InChI=1S/C31H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27(34)36-31-23-17-16-18-25(32)28(23)30(35)29-24(31)20-22(2)21-26(29)33/h16-18,20-21,31-33H,3-15,19H2,1-2H3
InChIKey KLZLSRCDCWZALP-UHFFFAOYSA-N
Literature Reference Author S.J.ANU,J.M.RAO
Literature Reference Citation PHYTOCHEM.,59,425(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00439-3
Molecular Weight 494.671 g/mol
Solvent CDCl3
Source File Reference UWVN2639