| SpectraBase Compound ID | FG4tl0J79QC |
|---|---|
| InChI | InChI=1S/C34H30N2O6/c1-39-29-16-21-9-11-35-25-14-20-5-8-27(37)28(15-20)41-23-6-3-19(4-7-23)13-26-32-22(10-12-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-8,10,12,15-18,25,35,37-38H,9,11,13-14H2,1-2H3 |
| InChIKey | MCIZJDINENOLNM-UHFFFAOYSA-N |
| Mol Weight | 562.6 g/mol |
| Molecular Formula | C34H30N2O6 |
| Exact Mass | 562.210387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwrK5xke3Fo |
|---|---|
| Name | Pycnazanthine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 562.210386688 u |
| Formula | C34H30N2O6 |
| InChI | InChI=1S/C34H30N2O6/c1-39-29-16-21-9-11-35-25-14-20-5-8-27(37)28(15-20)41-23-6-3-19(4-7-23)13-26-32-22(10-12-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-8,10,12,15-18,25,35,37-38H,9,11,13-14H2,1-2H3 |
| InChIKey | MCIZJDINENOLNM-UHFFFAOYSA-N |
| Molecular Weight | 562.622 g/mol |
| SMILES | C1=2OC3=CC=4C(NCCC4C=C3OC)CC=3C=C(OC=4C=CC(CC=5C2C(C=CN5)=CC(=C1O)OC)=CC4)C(O)=CC3 |