| SpectraBase Compound ID | 3tvrqLAA9rH |
|---|---|
| InChI | InChI=1S/C26H26O5/c1-14(10-21-16-7-8-17(12-16)23(21)27)26(30)31-13-15-6-9-20-22(11-15)25(29)19-5-3-2-4-18(19)24(20)28/h2-6,9,11,14,16-17,21,23,27H,7-8,10,12-13H2,1H3/t14?,16-,17+,21-,23-/m0/s1 |
| InChIKey | KUPIRTGURWEYMF-JRQROKTASA-N |
| Mol Weight | 418.49 g/mol |
| Molecular Formula | C26H26O5 |
| Exact Mass | 418.178024 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GMIiI6Wj7fP |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H24O5 |
| InChI | InChI=1S/C26H26O5/c1-14(10-21-16-7-8-17(12-16)23(21)27)26(30)31-13-15-6-9-20-22(11-15)25(29)19-5-3-2-4-18(19)24(20)28/h2-6,9,11,14,16-17,21,23,27H,7-8,10,12-13H2,1H3/t14?,16-,17+,21-,23-/m0/s1 |
| InChIKey | KUPIRTGURWEYMF-JRQROKTASA-N |
| Molecular Weight | 418.1773 |
| SMILES | O[C@@]1([C@@](CC(C(OCc2cc3C(c4ccccc4C(c3cc2)=O)=O)=O)C)([C@@]2(C[C@]1(CC2)[H])[H])[H])[H] |
| SPLASH | splash10-00xr-6890400000-51b78be80dd7316afba7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |