| SpectraBase Compound ID | 85P1jS0OuGn |
|---|---|
| InChI | InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28-,29-,36+/m0/s1 |
| InChIKey | BJQBVGSNOQNIAB-FYIDRWAOSA-N |
| Mol Weight | 731.8 g/mol |
| Molecular Formula | C36H45N9O8 |
| Exact Mass | 731.339109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7a5lrCUv9jV |
|---|---|
| Name | PSEUDOTHEONAMIDE-C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45N9O8 |
| InChI | InChI=1S/C36H45N9O8/c37-26(19-22-6-2-1-3-7-22)31(49)41-24(18-23-10-13-25(47)14-11-23)12-15-30(48)39-20-27(40-21-46)33(51)44-16-4-8-28(44)32(50)42-29-9-5-17-45-35(38)43-34(52)36(29,45)53/h1-3,6-7,10-15,21,24,26-29,47,53H,4-5,8-9,16-20,37H2,(H,39,48)(H,40,46)(H,41,49)(H,42,50)(H2,38,43,52)/b15-12+/t24-,26-,27+,28-,29-,36+/m0/s1 |
| InChIKey | BJQBVGSNOQNIAB-FYIDRWAOSA-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 | 731.809 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWSI910 |