| SpectraBase Compound ID | IjKfbSaPZkW |
|---|---|
| InChI | InChI=1S/C31H45N3O6/c35-29-19-39-26-16-8-5-13-23(26)34-31(37)28(18-21-10-2-1-3-11-21)40-27-17-9-6-14-24(27)33-30(36)20-38-25-15-7-4-12-22(25)32-29/h1-3,10-11,22-28H,4-9,12-20H2,(H,32,35)(H,33,36)(H,34,37)/t22-,23-,24-,25-,26-,27-,28+/m0/s1 |
| InChIKey | PVUQPAOTFGSTRV-NHUCAYLPSA-N |
| Mol Weight | 555.7 g/mol |
| Molecular Formula | C31H45N3O6 |
| Exact Mass | 555.330836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHKb7AUvz4d |
|---|---|
| Name | CYCLO-(COP-COA-COA) |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H45N3O6 |
| InChI | InChI=1S/C31H45N3O6/c35-29-19-39-26-16-8-5-13-23(26)34-31(37)28(18-21-10-2-1-3-11-21)40-27-17-9-6-14-24(27)33-30(36)20-38-25-15-7-4-12-22(25)32-29/h1-3,10-11,22-28H,4-9,12-20H2,(H,32,35)(H,33,36)(H,34,37)/t22-,23-,24-,25-,26-,27-,28+/m0/s1 |
| InChIKey | PVUQPAOTFGSTRV-NHUCAYLPSA-N |
| Literature Reference Author | H.D.ARNDT,B.ZIEMER,U.KOERT |
| Literature Reference Citation | ORG.LETTERS,6,3269(2004) |
| Literature Reference DOI | 10.1021/ol048861q |
| Molecular Weight | 555.715 g/mol |
| Sample ID | 50938 |
| Solvent | ACETONE-D6 |