| SpectraBase Compound ID | L5lMCbfSzG1 |
|---|---|
| InChI | InChI=1S/C20H28O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,9,12,16,18,22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,17-9-/t16-,18+/m1/s1 |
| InChIKey | PGYRSUFCGXKLPM-NRTVDCPFSA-N |
| Mol Weight | 316.44 g/mol |
| Molecular Formula | C20H28O3 |
| Exact Mass | 316.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D4X8U91L9dZ |
|---|---|
| Name | 9-DEOXY-ISOXENIOLIDE_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O3 |
| InChI | InChI=1S/C20H28O3/c1-14-7-5-8-15(2)18-13-23-19(21)17(16(18)11-10-14)9-6-12-20(3,4)22/h6-7,9,12,16,18,22H,2,5,8,10-11,13H2,1,3-4H3/b12-6+,14-7+,17-9-/t16-,18+/m1/s1 |
| InChIKey | PGYRSUFCGXKLPM-NRTVDCPFSA-N |
| Literature Reference Author | A.A.H.EL-GAMAL,C.Y.CHIANG,S.H.HUANG,S.K.WANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,68,1336(2005) |
| Literature Reference DOI | 10.1021/np058047r |
| Molecular Weight | 316.441 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ13377 |