| SpectraBase Compound ID | 2t5lKfLV1NW |
|---|---|
| InChI | InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26?,27?/m1/s1 |
| InChIKey | ASCIWXOCZAWSON-OMXGPXTPSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C28H36N4O4 |
| Exact Mass | 492.273656 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AIsf8zrvhJK |
|---|---|
| Name | 11-epi-ephedradine A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36N4O4 |
| InChI | InChI=1S/C28H36N4O4/c33-21-8-5-19(6-9-21)27-26-22-17-20(7-10-24(22)36-27)23-18-25(34)31-14-4-16-32(28(26)35)15-2-1-11-29-12-3-13-30-23/h5-10,17,23,26-27,29-30,33H,1-4,11-16,18H2,(H,31,34)/t23-,26?,27?/m1/s1 |
| InChIKey | ASCIWXOCZAWSON-OMXGPXTPSA-N |
| Molecular Weight | 492.620 g/mol |
| SMILES | N1C(C[C@@]2(c3ccc4c(C(C(c5ccc(cc5)O)O4)C(N(CCC1)CCCCNCCCN2)=O)c3)[H])=O |
| SPLASH | splash10-0002-6951300000-0962aa52aa599929b738 |
| Source of Spectrum | X2-53-1165-1 |
| Synonyms | 11-epi-Orantine |
| Wiley ID | 1603659 |