| SpectraBase Compound ID | cRs4nIGXyJ |
|---|---|
| InChI | InChI=1S/C28H40O11/c1-13-21(34)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14+/t20-,21-,22-,23+,24-,27+/m0/s1 |
| InChIKey | KSZOOYZKDSXGIR-CHNIUSETSA-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 | BznbRnVQNrl |
|---|---|
| Name | 13-DEACETYLCANADENSENE |
| Compound Number | 1 |
| 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)10-20-24(37-16(4)31)9-19(12-29)22(35)11-23(36-15(3)30)14(2)26(38-17(5)32)27(39-18(6)33)25(13)28(20,7)8/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-14+/t20-,21-,22-,23+,24-,27+/m0/s1 |
| InChIKey | KSZOOYZKDSXGIR-CHNIUSETSA-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 | UWVN11302 |