| SpectraBase Compound ID | EwNHpJVq0CS |
|---|---|
| InChI | InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1 |
| InChIKey | OHLKJNUNPSYJEE-RWBJUYEISA-N |
| Mol Weight | 662.7 g/mol |
| Molecular Formula | C37H38N6O6 |
| Exact Mass | 662.285283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJ36aZltKH8 |
|---|---|
| Name | XENEMATIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N6O6 |
| InChI | InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1 |
| InChIKey | OHLKJNUNPSYJEE-RWBJUYEISA-N |
| Literature Reference Author | G.LANG,T.KALVELAGE,A.PETERS,J.WIESE,J.F.IMHOFF |
| Literature Reference Citation | J.NAT.PROD.,71,1074(2008) |
| Literature Reference DOI | 10.1021/np800053n |
| Molecular Weight | 662.745 g/mol |
| Sample ID | 28118 |
| Solvent | DMSO-D6 |