| SpectraBase Compound ID | PBd3jcPG7b |
|---|---|
| InChI | InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1 |
| InChIKey | NHCLXSSUPOPGTR-MZSBIAPQSA-N |
| Mol Weight | 552.6 g/mol |
| Molecular Formula | C28H40O11 |
| Exact Mass | 552.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEMZgXllvfm |
|---|---|
| Name | 7-DEACETYLCANADENSENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O11 |
| InChI | InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21+,22-,23-,24-,27+/m0/s1 |
| InChIKey | NHCLXSSUPOPGTR-MZSBIAPQSA-N |
| Literature Reference Author | Q.W.SHI,T.ORITANI,T.SUGIYAMA |
| Literature Reference Citation | PHYTOCHEM.,50,633(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00563-9 |
| Molecular Weight | 552.619 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11303 |