| SpectraBase Compound ID | 1p4SystwOaR |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(29)14-19(2)24(20)31-7)13-22-16-26(5)11-8-12-27(26,6)28(32-22)17-23(30)25(3,4)33-28/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23-,26+,27+,28-/m0/s1 |
| InChIKey | XKBADSLJYMPNHK-SMLDNZLOSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C28H40O5 |
| Exact Mass | 456.287574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jGtEIlOuzS |
|---|---|
| Name | XKBADSLJYMPNHK-SMLDNZLOSA-N |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-18(9-10-20-15-21(29)14-19(2)24(20)31-7)13-22-16-26(5)11-8-12-27(26,6)28(32-22)17-23(30)25(3,4)33-28/h9,14-16,23,29-30H,8,10-13,17H2,1-7H3/b18-9+/t23-,26+,27+,28-/m0/s1 |
| InChIKey | XKBADSLJYMPNHK-SMLDNZLOSA-N |
| Literature Reference Author | D.W.LAIRD,I.A.V.ALTENA |
| Literature Reference Citation | PHYTOCHEM.,67,944(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.03.011 |
| Molecular Weight | 456.623 g/mol |
| Sample ID | 66217 |
| Solvent | CDCl3 |