John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=5tzQqVrtKMB SpectraBase Spectrum ID=1JQmFA6Cx7l

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CHARTACEONE_D;ISOMER_1
SpectraBase Compound ID 5tzQqVrtKMB
InChI InChI=1S/C41H40O8/c42-32-26-33(29-18-9-3-10-19-29)49-41-36(30(20-13-23-35(45)46)25-24-27-14-5-1-6-15-27)39(47)37(40(48)38(32)41)31(28-16-7-2-8-17-28)21-11-4-12-22-34(43)44/h1-3,5-11,14-19,21,24-25,30-31,33,47-48H,4,12-13,20,22-23,26H2,(H,43,44)(H,45,46)/b21-11+,25-24+
InChIKey RAGZNEMPFYNJSA-KQFLDCGVSA-N
Mol Weight 660.8 g/mol
Molecular Formula C41H40O8
Exact Mass 660.272319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JQmFA6Cx7l
Name CHARTACEONE_D;ISOMER_1
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40O8
InChI InChI=1S/C41H40O8/c42-32-26-33(29-18-9-3-10-19-29)49-41-36(30(20-13-23-35(45)46)25-24-27-14-5-1-6-15-27)39(47)37(40(48)38(32)41)31(28-16-7-2-8-17-28)21-11-4-12-22-34(43)44/h1-3,5-11,14-19,21,24-25,30-31,33,47-48H,4,12-13,20,22-23,26H2,(H,43,44)(H,45,46)/b21-11+,25-24+
InChIKey RAGZNEMPFYNJSA-KQFLDCGVSA-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 39581
Solvent CD3OD
SpectraBase Batch ID 97c4JfeSrMY