| SpectraBase Compound ID | 1q7z2309r2v |
|---|---|
| InChI | InChI=1S/C28H40O5/c1-16(2)20(14-18-13-19(32-8)12-17(3)22(18)30)23(31)24-26(6)10-9-11-27(26,7)28(24)15-21(29)25(4,5)33-28/h12-13,20-21,24,29-30H,1,9-11,14-15H2,2-8H3/t20-,21+,24-,26-,27-,28+/m0/s1 |
| InChIKey | WQCXZBSIYMMXSJ-QNVCCIAOSA-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 | 3luo1SSJmKo |
|---|---|
| Name | NEOBALEARONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H40O5 |
| InChI | InChI=1S/C28H40O5/c1-16(2)20(14-18-13-19(32-8)12-17(3)22(18)30)23(31)24-26(6)10-9-11-27(26,7)28(24)15-21(29)25(4,5)33-28/h12-13,20-21,24,29-30H,1,9-11,14-15H2,2-8H3/t20-,21+,24-,26-,27-,28+/m0/s1 |
| InChIKey | WQCXZBSIYMMXSJ-QNVCCIAOSA-N |
| Literature Reference Author | V.MESGUICHE,R.VALLS,L.PIOVETTI,B.BANAIGS |
| Literature Reference Citation | PHYTOCHEM.,45,1489(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00155-6 |
| Molecular Weight | 456.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP463 |