| SpectraBase Compound ID | 39HMi7NlAo2 |
|---|---|
| InChI | InChI=1S/C37H45N9O8/c38-36-42-35(53)37(54)30(9-5-15-46(36)37)41-32(50)27-8-4-14-44(27)34(52)26(39-20-47)19-43-21-45-28(18-31(43)49)25(16-23-10-12-24(48)13-11-23)40-33(51)29(45)17-22-6-2-1-3-7-22/h1-3,6-7,10-13,20,25-30,48,54H,4-5,8-9,14-19,21H2,(H,39,47)(H,40,51)(H,41,50)(H2,38,42,53)/t25-,26+,27-,28+,29+,30-,37+/m0/s1 |
| InChIKey | FJXRGKNIIBTSSQ-MZGRLFRUSA-N |
| Mol Weight | 743.8 g/mol |
| Molecular Formula | C37H45N9O8 |
| Exact Mass | 743.339109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUDEm2XZsZE |
|---|---|
| Name | PSEUDOTHEONAMIDE-B2 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H45N9O8 |
| InChI | InChI=1S/C37H45N9O8/c38-36-42-35(53)37(54)30(9-5-15-46(36)37)41-32(50)27-8-4-14-44(27)34(52)26(39-20-47)19-43-21-45-28(18-31(43)49)25(16-23-10-12-24(48)13-11-23)40-33(51)29(45)17-22-6-2-1-3-7-22/h1-3,6-7,10-13,20,25-30,48,54H,4-5,8-9,14-19,21H2,(H,39,47)(H,40,51)(H,41,50)(H2,38,42,53)/t25-,26+,27-,28+,29+,30-,37+/m0/s1 |
| InChIKey | FJXRGKNIIBTSSQ-MZGRLFRUSA-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 | 743.820 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWSI909 |