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3-ACETYL-11-(3-METHYLBUTANOYL)-13-PROPANOYLILIKONAPYRONE

View entire compound with spectra: 1 NMR

3-ACETYL-11-(3-METHYLBUTANOYL)-13-PROPANOYLILIKONAPYRONE
SpectraBase Compound ID CTTnHINBKKZ
InChI InChI=1S/C42H62O10/c1-16-32-24(8)36(46)26(10)38(49-32)22(6)20-23(7)39(50-34(44)18-3)29(13)42(51-35(45)19-21(4)5)30(14)41-28(12)37(47)27(11)40(52-41)25(9)33(17-2)48-31(15)43/h20-22,25,29-30,33,39,42H,16-19H2,1-15H3/b23-20+/t22-,25+,29+,30+,33+,39+,42-/m1/s1
InChIKey YBYLWJQWQYRXKJ-JIBIURQTSA-N
Mol Weight 726.9 g/mol
Molecular Formula C42H62O10
Exact Mass 726.434298 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BncjuaUPA10
Name 3-ACETYL-11-(3-METHYLBUTANOYL)-13-PROPANOYLILIKONAPYRONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H62O10
InChI InChI=1S/C42H62O10/c1-16-32-24(8)36(46)26(10)38(49-32)22(6)20-23(7)39(50-34(44)18-3)29(13)42(51-35(45)19-21(4)5)30(14)41-28(12)37(47)27(11)40(52-41)25(9)33(17-2)48-31(15)43/h20-22,25,29-30,33,39,42H,16-19H2,1-15H3/b23-20+/t22-,25+,29+,30+,33+,39+,42-/m1/s1
InChIKey YBYLWJQWQYRXKJ-JIBIURQTSA-N
Literature Reference Author M.CARBONE,M.L.CIAVATTA,J.R.WANG,H.CIRILLO,V.MATHIEU,R.KISS,E .MOLLO,Y.W.GUO,M.GAV
Literature Reference Citation J.NAT.PROD.,76,2065(2013)
Literature Reference DOI 10.1021/np400483c
Molecular Weight 726.948 g/mol
Solvent CDCl3
Source File Reference UWMZ43417