| SpectraBase Compound ID | CKL13AOvOo2 |
|---|---|
| InChI | InChI=1S/C27H36O6/c1-18(2)14-24-16-23(27(30)33-24)12-13-25(32-21(5)28)20(4)10-6-8-19(3)9-7-11-22-15-26(29)31-17-22/h9-10,12,14-15,24-25H,6-8,11,13,16-17H2,1-5H3/b19-9+,20-10+,23-12-/t24?,25-/m1/s1 |
| InChIKey | SAORVJUYIMHNGG-FHTLSJPNSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C27H36O6 |
| Exact Mass | 456.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C7DLul4R8Yq |
|---|---|
| Name | Luffarin V |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H36O6 |
| InChI | InChI=1S/C27H36O6/c1-18(2)14-24-16-23(27(30)33-24)12-13-25(32-21(5)28)20(4)10-6-8-19(3)9-7-11-22-15-26(29)31-17-22/h9-10,12,14-15,24-25H,6-8,11,13,16-17H2,1-5H3/b19-9+,20-10+,23-12-/t24?,25-/m1/s1 |
| InChIKey | SAORVJUYIMHNGG-FHTLSJPNSA-N |
| Molecular Weight | 456.579 g/mol |
| SMILES | C1(\C(=C/C[C@](\C(=C\CC\C(=C\CCC2=CC(=O)OC2)C)C)(OC(=O)C)[H])CC(O1)C=C(C)C)=O |
| SPLASH | splash10-02i2-0793000000-25066f9c0556380b1d74 |
| Source of Spectrum | F-62-2848-1 |
| Wiley ID | 1632794 |