| SpectraBase Compound ID | 1cGP6n9FFS7 |
|---|---|
| InChI | InChI=1S/C37H38N4O5/c1-44-33-27-13-6-14-28(33)30-16-8-18-32(35(30)46-3)41-22-10-20-39(37(41)43)24-26-12-5-4-11-25(26)23-38-19-9-21-40(36(38)42)31-17-7-15-29(27)34(31)45-2/h4-8,11-18H,9-10,19-24H2,1-3H3 |
| InChIKey | RYJJASLPESZGOY-UHFFFAOYSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C37H38N4O5 |
| Exact Mass | 618.28422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2zzNTg0VOw |
|---|---|
| Name | 34,38-Dioxo-35,36,37-trimethoxy-3,7,23,27-tetraazaheptacyclo-(27.3.0.1.1.1.1.1.1)ocataconta-1(33),8(35),9,11,13-(36),14,16,18(37),19,21,29,31-dodecaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 618.284220335 u |
| Formula | C37H38N4O5 |
| InChI | InChI=1S/C37H38N4O5/c1-44-33-27-13-6-14-28(33)30-16-8-18-32(35(30)46-3)41-22-10-20-39(37(41)43)24-26-12-5-4-11-25(26)23-38-19-9-21-40(36(38)42)31-17-7-15-29(27)34(31)45-2/h4-8,11-18H,9-10,19-24H2,1-3H3 |
| InChIKey | RYJJASLPESZGOY-UHFFFAOYSA-N |
| Molecular Weight | 618.734 g/mol |
| SMILES | C1(N2C=3C(=C(C=4C(=C(C=5C(OC)=C(N6C(N(CC=7C(CN1CCC2)=CC=CC7)CCC6)=O)C=CC5)C=CC4)OC)C=CC3)OC)=O |