| SpectraBase Compound ID | 25gxpToNJtW |
|---|---|
| InChI | InChI=1S/C36H47N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,31,47,49H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+,31-/m1/s1 |
| InChIKey | UBDVHSRQXRQYDR-GINMPYBTSA-N |
| Mol Weight | 733.8 g/mol |
| Molecular Formula | C36H47N9O8 |
| Exact Mass | 733.35476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fw4ZPaRtNC2 |
|---|---|
| Name | DIHYDROCYCLOTHEONAMIDE-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47N9O8 |
| InChI | InChI=1S/C36H47N9O8/c37-36(38)39-16-4-8-26-31(49)34(52)44-27(19-22-6-2-1-3-7-22)32(50)42-24(18-23-10-13-25(47)14-11-23)12-15-30(48)40-20-28(41-21-46)35(53)45-17-5-9-29(45)33(51)43-26/h1-3,6-7,10-15,21,24,26-29,31,47,49H,4-5,8-9,16-20H2,(H,40,48)(H,41,46)(H,42,50)(H,43,51)(H,44,52)(H4,37,38,39)/b15-12+/t24-,26+,27-,28+,29+,31-/m1/s1 |
| InChIKey | UBDVHSRQXRQYDR-GINMPYBTSA-N |
| Literature Reference Author | Y.NAKAO,A.MASUDA,S.MATSUNAGA,N.FUSETANI |
| Literature Reference Citation | J.AM.CHEM.SOC.,121,2425(1999) |
| Literature Reference DOI | 10.1021/ja9831195 |
| Molecular Weight | 733.825 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWSI912 |