![3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-5-en-1-yl]cyclopent[c]isoxazolidine (Pyrinodemin A)](/api/spectrum/IqOzeHqj7dX/structure.png?h=300&w=458 "3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-5-en-1-yl]cyclopent[c]isoxazolidine (Pyrinodemin A)")
| SpectraBase Compound ID | IbROMH1vapr |
|---|---|
| InChI | InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h4,6,20-21,24-25,29-30,32-33,36-38H,1-3,5,7-19,22-23,26-28,31H2/b6-4+/t36-,37+,38?/m0/s1 |
| InChIKey | ZRNXNRWWCKQFOL-KILFUUSJSA-N |
| Mol Weight | 573.9 g/mol |
| Molecular Formula | C38H59N3O |
| Exact Mass | 573.465814 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IqOzeHqj7dX |
|---|---|
| Name | 3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-5-en-1-yl]cyclopent[c]isoxazolidine (Pyrinodemin A) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H59N3O |
| InChI | InChI=1S/C38H59N3O/c1(3-5-7-11-15-22-34-24-20-29-39-32-34)2-4-6-10-14-18-31-41-37-27-19-26-36(37)38(42-41)28-17-13-9-8-12-16-23-35-25-21-30-40-33-35/h4,6,20-21,24-25,29-30,32-33,36-38H,1-3,5,7-19,22-23,26-28,31H2/b6-4+/t36-,37+,38?/m0/s1 |
| InChIKey | ZRNXNRWWCKQFOL-KILFUUSJSA-N |
| Molecular Weight | 573.910 g/mol |
| SMILES | C1(ON([C@]2([C@@]1(CCC2)[H])[H])CCCC\C=C\CCCCCCCCc1cnccc1)CCCCCCCCc1cnccc1 |
| SPLASH | splash10-0596-3972020000-59e09d8e6f8c9733365f |
| Source of Spectrum | AT-42-1642-1 |
| Wiley ID | 855005 |