| SpectraBase Compound ID | EL2Jd8sJyJ5 |
|---|---|
| InChI | InChI=1S/C42H66N10O10/c1-7-24(3)21-34(55)47-26(5)36(56)49-30-23-46-33(54)18-15-28(22-27-13-16-29(53)17-14-27)48-38(58)35(25(4)8-2)51-40(60)42(61,62-6)32(12-9-19-45-41(43)44)50-37(57)31-11-10-20-52(31)39(30)59/h13-18,24-26,28,30-32,35,53,61H,7-12,19-23H2,1-6H3,(H,46,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57)(H,51,60)(H4,43,44,45)/b18-15+/i6D3,61D |
| InChIKey | QSEXCYWDSOZMOB-LPMVGISOSA-N |
| Mol Weight | 875.1 g/mol |
| Molecular Formula | C42H622H4N10O10 |
| Exact Mass | 874.521445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AK2dFvdMiRp |
|---|---|
| Name | CYCLOTHEONAMIDE-E4;MAJOR-CONFORMER;HEMIACETAL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H622H4N10O10 |
| InChI | InChI=1S/C42H66N10O10/c1-7-24(3)21-34(55)47-26(5)36(56)49-30-23-46-33(54)18-15-28(22-27-13-16-29(53)17-14-27)48-38(58)35(25(4)8-2)51-40(60)42(61,62-6)32(12-9-19-45-41(43)44)50-37(57)31-11-10-20-52(31)39(30)59/h13-18,24-26,28,30-32,35,53,61H,7-12,19-23H2,1-6H3,(H,46,54)(H,47,55)(H,48,58)(H,49,56)(H,50,57)(H,51,60)(H4,43,44,45)/b18-15+/i6D3,61D |
| InChIKey | QSEXCYWDSOZMOB-LPMVGISOSA-N |
| Literature Reference Author | Y.MURAKAMI,M.TAKEI,K.SHINDO,C.KITAZUME,J.TANAKA,T.HIGA,H.FUK AMACHI |
| Literature Reference Citation | J.NAT.PROD.,65,259(2002) |
| Literature Reference DOI | 10.1021/np010304e |
| Molecular Weight | 875.072 g/mol |
| Solvent | CD3OD |