| SpectraBase Compound ID | 3crRslvCED0 |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6+ |
| InChIKey | ZHNTWXWAMWPYNI-ICGFURIQSA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApKYhXinoNN |
|---|---|
| Name | Isoxeniolide-A |
| CAS Registry Number | 71117-53-8 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-13-7-8-16-17(6-5-9-20(3,4)23)19(22)24-12-18(16)14(2)11-15(21)10-13/h5-6,9-10,15-16,18,21,23H,2,7-8,11-12H2,1,3-4H3/b9-5+,13-10-,17-6+ |
| InChIKey | ZHNTWXWAMWPYNI-ICGFURIQSA-N |
| Instrument Name | SF = 090 MHz |
| Literature Reference | J. Org. Chem. 45, 3814 (1980). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |