| SpectraBase Compound ID | HtxRPImx1ey |
|---|---|
| InChI | InChI=1S/C40H44N6O2/c1-3-25-23-45-19-15-27(25)21-35(45)37(31-13-17-41-33-11-7-5-9-29(31)33)43-39(47)40(48)44-38(32-14-18-42-34-12-8-6-10-30(32)34)36-22-28-16-20-46(36)24-26(28)4-2/h3-14,17-18,25-28,35-38H,1-2,15-16,19-24H2,(H,43,47)(H,44,48)/t25?,26?,27?,28?,35-,36-,37-,38?/m1/s1 |
| InChIKey | VNPRRTIMWXEZLK-VTVJOXQHSA-N |
| Mol Weight | 640.8 g/mol |
| Molecular Formula | C40H44N6O2 |
| Exact Mass | 640.352575 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8bnqBiictub |
|---|---|
| Name | N,N'-bis(9'-Deoxyepicinchonin-9'-yl)oxamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H44N6O2 |
| InChI | InChI=1S/C40H44N6O2/c1-3-25-23-45-19-15-27(25)21-35(45)37(31-13-17-41-33-11-7-5-9-29(31)33)43-39(47)40(48)44-38(32-14-18-42-34-12-8-6-10-30(32)34)36-22-28-16-20-46(36)24-26(28)4-2/h3-14,17-18,25-28,35-38H,1-2,15-16,19-24H2,(H,43,47)(H,44,48)/t25?,26?,27?,28?,35-,36-,37-,38?/m1/s1 |
| InChIKey | VNPRRTIMWXEZLK-VTVJOXQHSA-N |
| Molecular Weight | 640.832 g/mol |
| SMILES | N([C@@]([C@@]1(N2CC(C(C1)CC2)C=C)[H])(c1c2c(ncc1)cccc2)[H])C(C(NC([C@@]1(N2CC(C(C1)CC2)C=C)[H])c1c2c(cccc2)ncc1)=O)=O |
| SPLASH | splash10-007c-5945003000-9777382481d400ed21e6 |
| Source of Spectrum | AN-106-83-12 |
| Wiley ID | 747643 |