| SpectraBase Compound ID | 5C1hJ57QpFe |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-17(2)15-23(29)31-22-10-13-24(5,12-8-20(27)18(3)4)11-7-19(16-26)21(28)9-14-25(22,6)30/h7,9-10,13-15,20,22,26-27,30H,3,8,11-12,16H2,1-2,4-6H3/b13-10+,14-9+,19-7-/t20?,22-,24-,25-/m1/s1 |
| InChIKey | NROSZFYAWYCTMA-XZHYIBAESA-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 | CDu77LZ68al |
|---|---|
| Name | Vibsanol B |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-17(2)15-23(29)31-22-10-13-24(5,12-8-20(27)18(3)4)11-7-19(16-26)21(28)9-14-25(22,6)30/h7,9-10,13-15,20,22,26-27,30H,3,8,11-12,16H2,1-2,4-6H3/b13-10+,14-9+,19-7-/t20?,22-,24-,25-/m1/s1 |
| InChIKey | NROSZFYAWYCTMA-XZHYIBAESA-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 = +17.4 (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)CCC(C(=C)C)O)=O)C |
| SPLASH | splash10-001i-9010000000-ee59815319bbfb17f9b9 |
| Source of Spectrum | G4-65-1054-2 |
| Wiley ID | 1883768 |