| SpectraBase Compound ID | E887UA6w663 |
|---|---|
| InChI | InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24+,25?,26-,27-,28-/m0/s1 |
| InChIKey | AFYNUVCDKLFCAU-OVTTWOLOSA-N |
| Mol Weight | 452.6 g/mol |
| Molecular Formula | C28H36O5 |
| Exact Mass | 452.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jxavwmQjZ3 |
|---|---|
| Name | Celastranhydride |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C28H36O5 |
| InChI | InChI=1S/C28H36O5/c1-24-9-10-25(2,23(31)32-6)16-20(24)28(5)14-12-26(3)18-15-21(29)33-22(30)17(18)7-8-19(26)27(28,4)13-11-24/h7-8,15,20H,9-14,16H2,1-6H3/t20-,24+,25?,26-,27-,28-/m0/s1 |
| InChIKey | AFYNUVCDKLFCAU-OVTTWOLOSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | Tetrahedron Lett. 29, 109 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |