| SpectraBase Compound ID | IlEmtsFRm33 |
|---|---|
| InChI | InChI=1S/C27H32O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-9,14-15,17-18,20-22,28,30-31H,1,10-12H2,2-4H3/t14-,15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27+/m1/s1 |
| InChIKey | DCEQVWXGYOZDOH-ZWXLQHEBSA-N |
| Mol Weight | 484.5 g/mol |
| Molecular Formula | C27H32O8 |
| Exact Mass | 484.209718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYKzNwJEA2Q |
|---|---|
| Name | 1,2-ALPHA-DIHYDRO-DAPHNETOXIN |
| Compound Number | 72A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O8 |
| InChI | InChI=1S/C27H32O8/c1-13(2)23-11-15(4)26-17-10-14(3)19(29)25(17,31)22(30)24(12-28)21(32-24)18(26)20(23)33-27(34-23,35-26)16-8-6-5-7-9-16/h5-9,14-15,17-18,20-22,28,30-31H,1,10-12H2,2-4H3/t14-,15-,17-,18-,20-,21+,22-,23-,24+,25-,26+,27+/m1/s1 |
| InChIKey | DCEQVWXGYOZDOH-ZWXLQHEBSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 484.546 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13524 |