| SpectraBase Compound ID | LZrcHxTOBn5 |
|---|---|
| InChI | InChI=1S/C25H30O4/c1-10-23(3,4)17-14-16-19(27-9)15-12-13-25(7,8)29-21(15)18(24(5,6)11-2)20(16)28-22(17)26/h10-14H,1-2H2,3-9H3 |
| InChIKey | CRLBUDBGXTZPCD-UHFFFAOYSA-N |
| Mol Weight | 394.51 g/mol |
| Molecular Formula | C25H30O4 |
| Exact Mass | 394.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRghRloiaXk |
|---|---|
| Name | Clausarin, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.214409442 u |
| Formula | C25H30O4 |
| InChI | InChI=1S/C25H30O4/c1-10-23(3,4)17-14-16-19(27-9)15-12-13-25(7,8)29-21(15)18(24(5,6)11-2)20(16)28-22(17)26/h10-14H,1-2H2,3-9H3 |
| InChIKey | CRLBUDBGXTZPCD-UHFFFAOYSA-N |
| Molecular Weight | 394.511 g/mol |
| SMILES | C(C=C)(C)(C)C=1C(OC2=C(C=3OC(C=CC3C(=C2C1)OC)(C)C)C(C=C)(C)C)=O |