| SpectraBase Compound ID | BA1XgmRPTdV |
|---|---|
| InChI | InChI=1S/C30H38O5/c1-28(2,32)12-9-18-15-20(16-19-10-13-30(5,6)35-26(18)19)25-17-23(31)21-7-8-24-22(27(21)33-25)11-14-29(3,4)34-24/h7-8,15-16,25,32H,9-14,17H2,1-6H3 |
| InChIKey | FINRXOPONMGFIH-UHFFFAOYSA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C30H38O5 |
| Exact Mass | 478.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HoAXKsvsLAL |
|---|---|
| Name | Tonkinochromane D |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 478.271924319 u |
| Formula | C30H38O5 |
| InChI | InChI=1S/C30H38O5/c1-28(2,32)12-9-18-15-20(16-19-10-13-30(5,6)35-26(18)19)25-17-23(31)21-7-8-24-22(27(21)33-25)11-14-29(3,4)34-24/h7-8,15-16,25,32H,9-14,17H2,1-6H3 |
| InChIKey | FINRXOPONMGFIH-UHFFFAOYSA-N |
| Molecular Weight | 478.629 g/mol |
| SMILES | C1=2OC(C3=CC=4CCC(OC4C(=C3)CCC(O)(C)C)(C)C)CC(C2C=CC2=C1CCC(C)(C)O2)=O |