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CHARTACEONE_F;ISOMER_1

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CHARTACEONE_F;ISOMER_1
SpectraBase Compound ID JrDZ9PC1bn8
InChI InChI=1S/C41H40O8/c42-32-26-33(29-16-8-3-9-17-29)49-41-37(31(19-11-21-35(45)46)25-23-28-14-6-2-7-15-28)39(47)36(40(48)38(32)41)30(18-10-20-34(43)44)24-22-27-12-4-1-5-13-27/h1-9,12-17,22-25,30-31,33,47-48H,10-11,18-21,26H2,(H,43,44)(H,45,46)/b24-22+,25-23+
InChIKey VDGBAYIBHQEDHS-BQASJOSNSA-N
Mol Weight 660.8 g/mol
Molecular Formula C41H40O8
Exact Mass 660.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DoTQWwTeTW
Name CHARTACEONE_F;ISOMER_2
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40O8
InChI InChI=1S/C41H40O8/c42-32-26-33(29-16-8-3-9-17-29)49-41-37(31(19-11-21-35(45)46)25-23-28-14-6-2-7-15-28)39(47)36(40(48)38(32)41)30(18-10-20-34(43)44)24-22-27-12-4-1-5-13-27/h1-9,12-17,22-25,30-31,33,47-48H,10-11,18-21,26H2,(H,43,44)(H,45,46)/b24-22+,25-23+
InChIKey VDGBAYIBHQEDHS-BQASJOSNSA-N
Literature Reference Author P.M.ALLARD,E.T.H.DAU,C.EYDOUX,J.C.GUILLEMOT,V.DUMONTET,C.POU LLAIN,B.CANARD,F.GUE
Literature Reference Citation J.NAT.PROD.,74,2446(2011)
Literature Reference DOI 10.1021/np200715v
Molecular Weight 660.764 g/mol
Sample ID 39586
Solvent CD3OD