| SpectraBase Compound ID | KhER7OCkrag |
|---|---|
| InChI | InChI=1S/C20H31BrO2/c1-12-6-7-13(2)19(15(12)4)17(22)10-14(3)16-8-9-20(5,23)18(21)11-16/h10,16-19,22-23H,2,6-9,11H2,1,3-5H3/b14-10+/t16-,17+,18-,19?,20+/m0/s1 |
| InChIKey | QFDXYVQLCRYWCQ-XFBXOFCGSA-N |
| Mol Weight | 383.37 g/mol |
| Molecular Formula | C20H31BrO2 |
| Exact Mass | 382.150743 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C86HQdFBcZm |
|---|---|
| Name | Rogioldiol B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31BrO2 |
| InChI | InChI=1S/C20H31BrO2/c1-12-6-7-13(2)19(15(12)4)17(22)10-14(3)16-8-9-20(5,23)18(21)11-16/h10,16-19,22-23H,2,6-9,11H2,1,3-5H3/b14-10+/t16-,17+,18-,19?,20+/m0/s1 |
| InChIKey | QFDXYVQLCRYWCQ-XFBXOFCGSA-N |
| Molecular Weight | 383.370 g/mol |
| SMILES | O[C@]1([C@](C[C@@](\C(=C\[C@](C2C(=C(CCC2=C)C)C)(O)[H])C)(CC1)[H])(Br)[H])C |
| SPLASH | splash10-00di-0952000000-5b3a72d037a0562dbaac |
| Source of Spectrum | QE-4-1696-3 |
| Wiley ID | 843653 |