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11-(3-METHYLBUTANOYL)-13-PROPANOYLILIKONAPYRONE
SpectraBase Compound ID J3MJZnwWSyE
InChI InChI=1S/C40H60O9/c1-15-30(41)23(8)38-26(11)35(45)27(12)39(49-38)29(14)40(48-33(43)18-20(4)5)28(13)37(47-32(42)17-3)22(7)19-21(6)36-25(10)34(44)24(9)31(16-2)46-36/h19-21,23,28-30,37,40-41H,15-18H2,1-14H3/b22-19+/t21-,23+,28+,29+,30+,37+,40-/m1/s1
InChIKey ZDBVKIXZFFHSNZ-MANZRMSISA-N
Mol Weight 684.9 g/mol
Molecular Formula C40H60O9
Exact Mass 684.423734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ad17lwFbPV4
Name 11-(3-METHYLBUTANOYL)-13-PROPANOYLILIKONAPYRONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60O9
InChI InChI=1S/C40H60O9/c1-15-30(41)23(8)38-26(11)35(45)27(12)39(49-38)29(14)40(48-33(43)18-20(4)5)28(13)37(47-32(42)17-3)22(7)19-21(6)36-25(10)34(44)24(9)31(16-2)46-36/h19-21,23,28-30,37,40-41H,15-18H2,1-14H3/b22-19+/t21-,23+,28+,29+,30+,37+,40-/m1/s1
InChIKey ZDBVKIXZFFHSNZ-MANZRMSISA-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 684.911 g/mol
Solvent CDCl3
Source File Reference UWMZ43415