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CHARTACEONE_C;ISOMER_1

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CHARTACEONE_C;ISOMER_1
SpectraBase Compound ID GG8dYKy9COU
InChI InChI=1S/C41H40O8/c42-32-26-33(29-20-10-3-11-21-29)49-41-37(31(28-18-8-2-9-19-28)23-13-5-15-25-35(45)46)39(47)36(40(48)38(32)41)30(27-16-6-1-7-17-27)22-12-4-14-24-34(43)44/h1-3,6-13,16-23,30-31,33,47-48H,4-5,14-15,24-26H2,(H,43,44)(H,45,46)/b22-12+,23-13+
InChIKey RGZSPQYXJSDKAN-FWSOMWAYSA-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 E2R0MApcR0x
Name CHARTACEONE_C;ISOMER_1
Compound Number 3
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(29-20-10-3-11-21-29)49-41-37(31(28-18-8-2-9-19-28)23-13-5-15-25-35(45)46)39(47)36(40(48)38(32)41)30(27-16-6-1-7-17-27)22-12-4-14-24-34(43)44/h1-3,6-13,16-23,30-31,33,47-48H,4-5,14-15,24-26H2,(H,43,44)(H,45,46)/b22-12+,23-13+
InChIKey RGZSPQYXJSDKAN-FWSOMWAYSA-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 39579
Solvent CD3OD