| SpectraBase Compound ID | 4Kzie53yPeV |
|---|---|
| InChI | InChI=1S/C41H64N10O10/c1-7-24(4)34-37(57)47-27(21-26-12-15-28(52)16-13-26)14-17-32(53)45-22-29(48-35(55)25(5)46-33(54)20-23(2)3)38(58)51-19-9-10-30(51)36(56)49-31(11-8-18-44-40(42)43)41(60,61-6)39(59)50-34/h12-17,23-25,27,29-31,34,52,60H,7-11,18-22H2,1-6H3,(H,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14-/t24-,25-,27+,29+,30-,31-,34+,41?/m0/s1 |
| InChIKey | ZAFOGEYZYRTXFF-CJKJSOCGSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C41H64N10O10 |
| Exact Mass | 856.480688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhJ75Cv4BVW |
|---|---|
| Name | CYClOTHEONAMIDE-E3;MAJOR_CONFORMER;B-HEMIACETALE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64N10O10 |
| InChI | InChI=1S/C41H64N10O10/c1-7-24(4)34-37(57)47-27(21-26-12-15-28(52)16-13-26)14-17-32(53)45-22-29(48-35(55)25(5)46-33(54)20-23(2)3)38(58)51-19-9-10-30(51)36(56)49-31(11-8-18-44-40(42)43)41(60,61-6)39(59)50-34/h12-17,23-25,27,29-31,34,52,60H,7-11,18-22H2,1-6H3,(H,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14-/t24-,25-,27+,29+,30-,31-,34+,41?/m0/s1 |
| InChIKey | ZAFOGEYZYRTXFF-CJKJSOCGSA-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 | 857.020 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWMK55 |