| 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 | 660.272318 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qFOxjLxTCa |
|---|---|
| Name | CHARTACEONE_D;ISOMER_2 |
| Compound Number | 4 |
| 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(29-18-9-3-10-19-29)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 | 39582 |
| Solvent | CD3OD |