| SpectraBase Compound ID | 1qM7C9CzEb6 |
|---|---|
| InChI | InChI=1S/C17H26O6/c1-9-6-11(23-10(2)19)13-15(3,4)7-16(5,8-18)17(13,22)12(9)14(20)21/h8-9,11-13,22H,6-7H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1 |
| InChIKey | UTWAQGXEORDUFH-SVLWDWOGSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C17H26O6 |
| Exact Mass | 326.172939 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CvriBGNvzc7 |
|---|---|
| Name | 15-Oxobotry-10-oic Acid |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H26O6 |
| InChI | InChI=1S/C17H26O6/c1-9-6-11(23-10(2)19)13-15(3,4)7-16(5,8-18)17(13,22)12(9)14(20)21/h8-9,11-13,22H,6-7H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1 |
| InChIKey | UTWAQGXEORDUFH-SVLWDWOGSA-N |
| Instrument Name | GC-MS Thermoquest |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020392i |
| Optical Rotation | [a]D25 = +13 (c = 0.8, CHCl3) |
| SMILES | O[C@]12[C@@]([C@](C[C@]([C@@]2(C(O)=O)[H])(C)[H])(OC(C)=O)[H])(C(C[C@]1(C)C=O)(C)C)[H] |
| SPLASH | splash10-0006-0900000000-b0231547d9a34e21828a |
| Source of Spectrum | G4-66-347-12 |
| Wiley ID | 1881259 |