![cis-3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-4-en-1-yl]cyclopent[c]isoxazolidine (Pyrinodemin A)](/api/spectrum/WBzyCEoGEh/structure.png?h=300&w=458 "cis-3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-4-en-1-yl]cyclopent[c]isoxazolidine (Pyrinodemin A)")
| SpectraBase Compound ID | 4vd0v4WRg7A |
|---|---|
| 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/h6,10,20-21,24-25,29-30,32-33,36-38H,1-5,7-9,11-19,22-23,26-28,31H2/b10-6-/t36-,37+,38?/m0/s1 |
| InChIKey | HGHNPXOXZZBCDJ-SGBXISIHSA-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 | WBzyCEoGEh |
|---|---|
| Name | cis-3-(8-Pyridin-3-yloctyl)-1-[14-(pyridin-3-yl)tetradec-4-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/h6,10,20-21,24-25,29-30,32-33,36-38H,1-5,7-9,11-19,22-23,26-28,31H2/b10-6-/t36-,37+,38?/m0/s1 |
| InChIKey | HGHNPXOXZZBCDJ-SGBXISIHSA-N |
| Molecular Weight | 573.910 g/mol |
| SMILES | C1(ON([C@]2([C@@]1(CCC2)[H])[H])CCC\C=C/CCCCCCCCCc1cnccc1)CCCCCCCCc1cnccc1 |
| SPLASH | splash10-0a4u-3981010000-2f20b59f127f3ac36a6f |
| Source of Spectrum | AT-42-1642-1 |
| Wiley ID | 855004 |