| SpectraBase Compound ID | 1lPEkAhJyeT |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-18(2)16-22(28)31-21-10-14-24(5,12-7-11-23(3,4)29)13-8-19(17-26)20(27)9-15-25(21,6)30/h7-11,14-16,21,26,29-30H,12-13,17H2,1-6H3/b11-7+,14-10+,15-9+,19-8-/t21-,24+,25-/m1/s1 |
| InChIKey | BFHUVBRMXMQPJH-KFKQBPMQSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ZrPpDNjc9x |
|---|---|
| Name | Vibsanol A |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-18(2)16-22(28)31-21-10-14-24(5,12-7-11-23(3,4)29)13-8-19(17-26)20(27)9-15-25(21,6)30/h7-11,14-16,21,26,29-30H,12-13,17H2,1-6H3/b11-7+,14-10+,15-9+,19-8-/t21-,24+,25-/m1/s1 |
| InChIKey | BFHUVBRMXMQPJH-KFKQBPMQSA-N |
| Instrument Name | VG Quattro 5022 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020007p |
| Molecular Weight | 432.557 g/mol |
| Optical Rotation | [a]D26 = +5.6 (c = 0.05, CHCl3) |
| Reported Formula | C25H36O6 |
| SMILES | O[C@@]1(\C=C\C(\C(CO)=C\C[C@](\C=C\[C@]1(OC(C=C(C)C)=O)[H])(C)C\C=C\C(C)(C)O)=O)C |
| SPLASH | splash10-001i-9000000000-fde7cc609f7a397020ba |
| Source of Spectrum | G4-65-1054-1 |
| Wiley ID | 1883767 |