| SpectraBase Compound ID | 3LVEzioHEfd |
|---|---|
| InChI | InChI=1S/C36H47N9O9/c37-35(38)39-16-4-9-29-36(53,54)34(52)43-26(19-22-6-2-1-3-7-22)31(49)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-27(41-21-46)33(51)45-17-5-8-28(45)32(50)44-29/h1-3,6-7,10-15,21,24,26-29,47,53-54H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,49)(H,43,52)(H,44,50)(H4,37,38,39)/b15-12+/t24-,26+,27-,28-,29?/m0/s1 |
| InChIKey | ORFIVBYXCFWCDZ-ZRLLTVJBSA-N |
| Mol Weight | 749.8 g/mol |
| Molecular Formula | C36H47N9O9 |
| Exact Mass | 749.349674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfWrnM0pacX |
|---|---|
| Name | CYCLOTHEONAMIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47N9O9 |
| InChI | InChI=1S/C36H47N9O9/c37-35(38)39-16-4-9-29-36(53,54)34(52)43-26(19-22-6-2-1-3-7-22)31(49)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-27(41-21-46)33(51)45-17-5-8-28(45)32(50)44-29/h1-3,6-7,10-15,21,24,26-29,47,53-54H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,49)(H,43,52)(H,44,50)(H4,37,38,39)/b15-12+/t24-,26+,27-,28-,29?/m0/s1 |
| InChIKey | ORFIVBYXCFWCDZ-ZRLLTVJBSA-N |
| Literature Reference Author | N.FUSETANI,S.MATSUNAGA,H.MATSUMOTO,Y.TAKABAYASHI |
| Literature Reference Citation | J.AM.CHEM.SOC.,112,7053(1990) |
| Literature Reference DOI | 10.1021/ja00175a045 |
| Molecular Weight | 749.824 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU6811 |