| SpectraBase Compound ID | IGuxh78GEBC |
|---|---|
| InChI | InChI=1S/C37H38N6O4/c1-21(2)16-27-32(44)39-28(33(45)38-27)18-23-20-42(30-15-9-6-12-24(23)30)37-19-31-34(46)40-29(17-22-10-4-3-5-11-22)35(47)43(31)36(37)41-26-14-8-7-13-25(26)37/h3-15,20-21,27-29,31,36,41H,16-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)/t27-,28+,29+,31-,36+,37-/m0/s1 |
| InChIKey | XGDLDPOMNWGMAL-HVMHLOMLSA-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 | 96Hc4LXX4Aq |
|---|---|
| Name | PESTALAZINE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H38N6O4 |
| InChI | InChI=1S/C37H38N6O4/c1-21(2)16-27-32(44)39-28(33(45)38-27)18-23-20-42(30-15-9-6-12-24(23)30)37-19-31-34(46)40-29(17-22-10-4-3-5-11-22)35(47)43(31)36(37)41-26-14-8-7-13-25(26)37/h3-15,20-21,27-29,31,36,41H,16-19H2,1-2H3,(H,38,45)(H,39,44)(H,40,46)/t27-,28+,29+,31-,36+,37-/m0/s1 |
| InChIKey | XGDLDPOMNWGMAL-HVMHLOMLSA-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 | 29261 |
| Solvent | ACETONE-D6 |