| SpectraBase Compound ID | 26xCmrxKQy6 |
|---|---|
| InChI | InChI=1S/C28H37NO3/c1-18-5-8-21-9-12-24-26(28(21,3)4)25(17-19(2)16-23(31)15-18)29(27(24)32)14-13-20-6-10-22(30)11-7-20/h6-7,10-11,16,21,23-24,30-31H,1,5,8-9,12-15,17H2,2-4H3/b19-16+/t21-,23+,24+/m1/s1 |
| InChIKey | USYVWERWVKDSSW-KXBDFOAZSA-N |
| Mol Weight | 435.6 g/mol |
| Molecular Formula | C28H37NO3 |
| Exact Mass | 435.277344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AIPa3Q0aeyZ |
|---|---|
| Name | Cespitulactam K |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H37NO3 |
| InChI | InChI=1S/C28H37NO3/c1-18-5-8-21-9-12-24-26(28(21,3)4)25(17-19(2)16-23(31)15-18)29(27(24)32)14-13-20-6-10-22(30)11-7-20/h6-7,10-11,16,21,23-24,30-31H,1,5,8-9,12-15,17H2,2-4H3/b19-16+/t21-,23+,24+/m1/s1 |
| InChIKey | USYVWERWVKDSSW-KXBDFOAZSA-N |
| Molecular Weight | 435.608 g/mol |
| SMILES | Oc1ccc(CCN2C([C@@]3(C4=C2C\C(=C\[C@](CC(CC[C@](CC3)(C4(C)C)[H])=C)(O)[H])C)[H])=O)cc1 |
| SPLASH | splash10-05i0-2910000000-2e2396b0f6afb086dd44 |
| Source of Spectrum | G4-70-1965-8 |
| Wiley ID | 1694836 |