| SpectraBase Compound ID | OWWWWV73EQ |
|---|---|
| InChI | InChI=1S/C37H38N6O4/c1-20(2)15-27-32(44)40-28(33(45)39-27)17-22-19-38-31-23(22)11-8-13-25(31)37-18-30-34(46)41-29(16-21-9-4-3-5-10-21)35(47)43(30)36(37)42-26-14-7-6-12-24(26)37/h3-14,19-20,27-30,36,38,42H,15-18H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)/t27-,28+,29+,30-,36+,37+/m1/s1 |
| InChIKey | YBZQMAQAADAOGH-JYTAXCTOSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C37H38N6O4 |
| Exact Mass | 630.295454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrdU54c3l0G |
|---|---|
| Name | PESTALAZINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N6O4 |
| InChI | InChI=1S/C37H38N6O4/c1-20(2)15-27-32(44)40-28(33(45)39-27)17-22-19-38-31-23(22)11-8-13-25(31)37-18-30-34(46)41-29(16-21-9-4-3-5-10-21)35(47)43(30)36(37)42-26-14-7-6-12-24(26)37/h3-14,19-20,27-30,36,38,42H,15-18H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)/t27-,28+,29+,30-,36+,37+/m1/s1 |
| InChIKey | YBZQMAQAADAOGH-JYTAXCTOSA-N |
| Literature Reference Author | G.DING,L.JIANG,L.GUO,X.CHEN,H.ZHANG,Y.CHE |
| Literature Reference Citation | J.NAT.PROD.,71,1861(2008) |
| Literature Reference DOI | 10.1021/np800357g |
| Molecular Weight | 630.747 g/mol |
| Sample ID | 29260 |
| Solvent | CD3OD |