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

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13-ACETYL-11-(3-METHYLBUTANOYL)-ILIKONAPYRONE
SpectraBase Compound ID 8MyFYFsRKiY
InChI InChI=1S/C39H58O9/c1-15-30(41)22(7)37-25(10)34(44)26(11)38(48-37)28(13)39(47-32(42)17-19(3)4)27(12)36(45-29(14)40)21(6)18-20(5)35-24(9)33(43)23(8)31(16-2)46-35/h18-20,22,27-28,30,36,39,41H,15-17H2,1-14H3/b21-18+/t20-,22+,27+,28+,30+,36+,39-/m1/s1
InChIKey NMLWCWUHSXEYRS-XAFYSACOSA-N
Mol Weight 670.9 g/mol
Molecular Formula C39H58O9
Exact Mass 670.408083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQJCTNDSft7
Name 13-ACETYL-11-(3-METHYLBUTANOYL)-ILIKONAPYRONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H58O9
InChI InChI=1S/C39H58O9/c1-15-30(41)22(7)37-25(10)34(44)26(11)38(48-37)28(13)39(47-32(42)17-19(3)4)27(12)36(45-29(14)40)21(6)18-20(5)35-24(9)33(43)23(8)31(16-2)46-35/h18-20,22,27-28,30,36,39,41H,15-17H2,1-14H3/b21-18+/t20-,22+,27+,28+,30+,36+,39-/m1/s1
InChIKey NMLWCWUHSXEYRS-XAFYSACOSA-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 670.884 g/mol
Solvent CDCl3
Source File Reference UWMZ43414