| SpectraBase Compound ID | YRuwE0ieoo |
|---|---|
| InChI | InChI=1S/C43H60N10O10/c1-5-25(2)35-39(59)49-29(23-27-15-18-30(54)19-16-27)17-20-34(55)47-24-31(50-36(56)26(3)48-37(57)28-11-7-6-8-12-28)40(60)53-22-10-13-32(53)38(58)51-33(14-9-21-46-42(44)45)43(62,63-4)41(61)52-35/h6-8,11-12,15-20,25-26,29,31-33,35,54,62H,5,9-10,13-14,21-24H2,1-4H3,(H,47,55)(H,48,57)(H,49,59)(H,50,56)(H,51,58)(H,52,61)(H4,44,45,46)/b20-17-/t25-,26-,29+,31+,32-,33-,35+,43?/m0/s1 |
| InChIKey | IQAVDJOUGVXHKG-DZVFKJHHSA-N |
| Mol Weight | 877.0 g/mol |
| Molecular Formula | C43H60N10O10 |
| Exact Mass | 876.449388 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4GIUZATcpKG |
|---|---|
| Name | CYClOTHEONAMIDE-E2;MINOR_CONFORMER;B-HEMIACETALE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H60N10O10 |
| InChI | InChI=1S/C43H60N10O10/c1-5-25(2)35-39(59)49-29(23-27-15-18-30(54)19-16-27)17-20-34(55)47-24-31(50-36(56)26(3)48-37(57)28-11-7-6-8-12-28)40(60)53-22-10-13-32(53)38(58)51-33(14-9-21-46-42(44)45)43(62,63-4)41(61)52-35/h6-8,11-12,15-20,25-26,29,31-33,35,54,62H,5,9-10,13-14,21-24H2,1-4H3,(H,47,55)(H,48,57)(H,49,59)(H,50,56)(H,51,58)(H,52,61)(H4,44,45,46)/b20-17-/t25-,26-,29+,31+,32-,33-,35+,43?/m0/s1 |
| InChIKey | IQAVDJOUGVXHKG-DZVFKJHHSA-N |
| Literature Reference Author | Y.NAKAO,N.OKU,S.MATSUNAGA,N.FUSETANI |
| Literature Reference Citation | J.NAT.PROD.,61,667(1998) |
| Literature Reference DOI | 10.1021/np970544n |
| Molecular Weight | 877.010 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWMK54 |