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11-(3-METHYLBUTANOYL)-ILIKONAPYRONE

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11-(3-METHYLBUTANOYL)-ILIKONAPYRONE
SpectraBase Compound ID BqTwNbLFsW
InChI InChI=1S/C37H56O8/c1-14-28(38)21(7)35-25(11)33(42)26(12)37(45-35)27(13)36(44-30(39)16-18(3)4)23(9)31(40)19(5)17-20(6)34-24(10)32(41)22(8)29(15-2)43-34/h17-18,20-21,23,27-28,31,36,38,40H,14-16H2,1-13H3/b19-17+/t20-,21+,23+,27-,28+,31+,36-/m1/s1
InChIKey GKWYEUBWUNMROC-FPAHAEKUSA-N
Mol Weight 628.8 g/mol
Molecular Formula C37H56O8
Exact Mass 628.397519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PAds74G9xp
Name 11-(3-METHYLBUTANOYL)-ILIKONAPYRONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H56O8
InChI InChI=1S/C37H56O8/c1-14-28(38)21(7)35-25(11)33(42)26(12)37(45-35)27(13)36(44-30(39)16-18(3)4)23(9)31(40)19(5)17-20(6)34-24(10)32(41)22(8)29(15-2)43-34/h17-18,20-21,23,27-28,31,36,38,40H,14-16H2,1-13H3/b19-17+/t20-,21+,23+,27-,28+,31+,36-/m1/s1
InChIKey GKWYEUBWUNMROC-FPAHAEKUSA-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 628.847 g/mol
Solvent CDCl3
Source File Reference UWMZ43413