| SpectraBase Compound ID | 5n8EQlD21v |
|---|---|
| InChI | InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25+,26+,27+,28-,29-,36+/m0/s1 |
| InChIKey | OFIXQAFBMUEGPX-AXCLFSRYSA-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 | 5BBMaCwcsXX |
|---|---|
| Name | PSEUDOTHEONAMIDE-A2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45N9O8 |
| InChI | InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25+,26+,27+,28-,29-,36+/m0/s1 |
| InChIKey | OFIXQAFBMUEGPX-AXCLFSRYSA-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 | UWSI908 |