| SpectraBase Compound ID | 8c6YuBMLYtJ |
|---|---|
| InChI | InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h9-10,19-21,23-24,27,39H,4-8,11-18,22,25H2,1-3H3/b10-9+ |
| InChIKey | RJFWYUXRTQFPPY-MDZDMXLPSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C36H48O5 |
| Exact Mass | 560.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | n9YjwAs1w |
|---|---|
| Name | Oleoyl-danshenxinkun |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H48O5 |
| InChI | InChI=1S/C36H48O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31(37)41-25-27(3)32-34(38)30-24-23-28-26(2)20-19-21-29(28)33(30)36(40)35(32)39/h9-10,19-21,23-24,27,39H,4-8,11-18,22,25H2,1-3H3/b10-9+ |
| InChIKey | RJFWYUXRTQFPPY-MDZDMXLPSA-N |
| Molecular Weight | 560.775 g/mol |
| SMILES | OC1=C(C(=O)c2c(C1=O)c1c(cc2)c(C)ccc1)C(COC(=O)CCCCCCCCC\C=C\CCCCCC)C |
| SPLASH | splash10-0fi9-4290000000-629a900fadd93fe3cd0d |
| Source of Spectrum | G4-64-650-2 |
| Wiley ID | 1609004 |