| SpectraBase Compound ID | BU9Rok4Hl2a |
|---|---|
| InChI | InChI=1S/C17H26O7/c1-8-6-10(24-9(2)18)12-15(3,4)7-16(5,14(21)22)17(12,23)11(8)13(19)20/h8,10-12,23H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t8-,10+,11-,12+,16-,17-/m1/s1 |
| InChIKey | SBTMGXIFRALHDM-VRUKSGGOSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C17H26O7 |
| Exact Mass | 342.167853 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9UraTNTbe6t |
|---|---|
| Name | Botrydioic Acid |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O7 |
| InChI | InChI=1S/C17H26O7/c1-8-6-10(24-9(2)18)12-15(3,4)7-16(5,14(21)22)17(12,23)11(8)13(19)20/h8,10-12,23H,6-7H2,1-5H3,(H,19,20)(H,21,22)/t8-,10+,11-,12+,16-,17-/m1/s1 |
| InChIKey | SBTMGXIFRALHDM-VRUKSGGOSA-N |
| Instrument Name | GC-MS Thermoquest |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020392i |
| Molecular Weight | 342.388 g/mol |
| Optical Rotation | [a]D25 = +9 (c = 1.3, CHCl3) |
| SMILES | OC([C@@]1([C@]2([C@]([C@@](C[C@@]([C@]2(C(C1)(C)C)[H])(OC(=O)C)[H])(C)[H])(C(=O)O)[H])O)C)=O |
| SPLASH | splash10-014i-0790000000-863692039034bb456112 |
| Source of Spectrum | G4-66-347-13 |
| Wiley ID | 1881260 |