| SpectraBase Compound ID | 7L3A5omvxBV |
|---|---|
| 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-PNPJKRRMSA-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 | 76nvVyEXOeA |
|---|---|
| Name | NEOBALEARONE |
| 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-PNPJKRRMSA-N |
| Literature Reference Author | V.AMICO,M.PIATTELLI,F.CUNSOLO,P.NERI,G.RUBERTO |
| Literature Reference Citation | J.NAT.PROD.,52,962(1989) |
| Literature Reference DOI | 10.1021/np50065a008 |
| Molecular Weight | 456.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS111 |