| SpectraBase Compound ID | FGE0p53gmcs |
|---|---|
| InChI | InChI=1S/C23H30O8/c1-6-13(2)22(26)31-21-19-14(3)23(27)30-18(19)10-16(12-29-15(4)25)8-7-9-17(11-24)20(21)28-5/h9-11,13,18-21H,3,6-8,12H2,1-2,4-5H3/b16-10-,17-9-/t13?,18-,19+,20+,21+/m1/s1 |
| InChIKey | LQRLPITWLQBARV-YPGOFOOLSA-N |
| Mol Weight | 434.49 g/mol |
| Molecular Formula | C23H30O8 |
| Exact Mass | 434.194068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1SRelGDVBpf |
|---|---|
| Name | Lecocarpinolide J, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.194067918 u |
| Formula | C23H30O8 |
| InChI | InChI=1S/C23H30O8/c1-6-13(2)22(26)31-21-19-14(3)23(27)30-18(19)10-16(12-29-15(4)25)8-7-9-17(11-24)20(21)28-5/h9-11,13,18-21H,3,6-8,12H2,1-2,4-5H3/b16-10-,17-9-/t13?,18-,19+,20+,21+/m1/s1 |
| InChIKey | LQRLPITWLQBARV-YPGOFOOLSA-N |
| Molecular Weight | 434.485 g/mol |
| SMILES | C(C(CC)C)(=O)O[C@@]1([C@](\C(=C/CC\C(=C\[C@]2(OC(=O)C([C@]12[H])=C)[H])COC(=O)C)C=O)(OC)[H])[H] |