| SpectraBase Compound ID | Bsah56xFaD6 |
|---|---|
| InChI | InChI=1S/C34H42N4O7/c1-22(39)36-15-4-5-16-37-17-6-14-35-31(42)21-29(38(23(2)40)19-7-18-36)26-10-13-30-28(20-26)32(34(37)43)33(45-30)25-8-11-27(12-9-25)44-24(3)41/h8-13,20,29,32-33H,4-7,14-19,21H2,1-3H3,(H,35,42)/t29-,32?,33?/m1/s1 |
| InChIKey | HGLIEVSRYHDKHE-DFLARTOCSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C34H42N4O7 |
| Exact Mass | 618.30535 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2VsIrvFxJ9L |
|---|---|
| Name | N(6),n(10) ,o(34)-triacetyl-11-epi-ephedradine A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H42N4O7 |
| InChI | InChI=1S/C34H42N4O7/c1-22(39)36-15-4-5-16-37-17-6-14-35-31(42)21-29(38(23(2)40)19-7-18-36)26-10-13-30-28(20-26)32(34(37)43)33(45-30)25-8-11-27(12-9-25)44-24(3)41/h8-13,20,29,32-33H,4-7,14-19,21H2,1-3H3,(H,35,42)/t29-,32?,33?/m1/s1 |
| InChIKey | HGLIEVSRYHDKHE-DFLARTOCSA-N |
| Molecular Weight | 618.731 g/mol |
| SMILES | N1C(C[C@@]2(c3ccc4c(C(C(N(CCC1)CCCCN(CCCN2C(=O)C)C(=O)C)=O)C(O4)c1ccc(OC(=O)C)cc1)c3)[H])=O |
| SPLASH | splash10-03di-3490000000-b9d0bec480bd265efc64 |
| Source of Spectrum | X2-53-1166-1 |
| Wiley ID | 1603658 |