| SpectraBase Compound ID | 43GTIMfypYf |
|---|---|
| InChI | InChI=1S/C36H57N3O/c1(3-5-9-13-20-32-22-18-27-37-30-32)2-4-8-12-16-29-39-35-25-17-24-34(35)36(40-39)26-15-11-7-6-10-14-21-33-23-19-28-38-31-33/h18-19,22-23,27-28,30-31,34-36H,1-17,20-21,24-26,29H2/t34-,35+,36-/m0/s1 |
| InChIKey | GANNNSHITAYEIE-PDHQKIGBSA-N |
| Mol Weight | 547.9 g/mol |
| Molecular Formula | C36H57N3O |
| Exact Mass | 547.450163 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | uhZjTxpqo4 |
|---|---|
| Name | Pyrinodemin D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H57N3O |
| InChI | InChI=1S/C36H57N3O/c1(3-5-9-13-20-32-22-18-27-37-30-32)2-4-8-12-16-29-39-35-25-17-24-34(35)36(40-39)26-15-11-7-6-10-14-21-33-23-19-28-38-31-33/h18-19,22-23,27-28,30-31,34-36H,1-17,20-21,24-26,29H2/t34-,35+,36-/m0/s1 |
| InChIKey | GANNNSHITAYEIE-PDHQKIGBSA-N |
| Molecular Weight | 547.872 g/mol |
| SMILES | [C@@]1(ON([C@]2([C@@]1(CCC2)[H])[H])CCCCCCCCCCCCc1cnccc1)(CCCCCCCCc1cnccc1)[H] |
| SPLASH | splash10-0pb9-0948000000-4a1a13a3c6721ead91d5 |
| Source of Spectrum | E2-48-976-3 |
| Synonyms | (3S,3aS,6aR)-1-[12-(3-pyridinyl)dodecyl]-3-[8-(3-pyridinyl)octyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-1-[12-(3-pyridyl)dodecyl]-3-[8-(3-pyridyl)octyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c]isoxazole (3S,3aS,6aR)-1-(12-pyridin-3-yldodecyl)-3-(8-pyridin-3-yloctyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole |
| Wiley ID | 1555211 |