| SpectraBase Compound ID | 1ldIq51lDLu |
|---|---|
| InChI | InChI=1S/C17H28O6/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/h9,11-13,18,22H,6-8H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1 |
| InChIKey | OLOQSHYLOVYRGK-SVLWDWOGSA-N |
| Mol Weight | 328.4 g/mol |
| Molecular Formula | C17H28O6 |
| Exact Mass | 328.188589 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BsAMACE5P0h |
|---|---|
| Name | Botryoloic Acid |
| Appearance | White solid |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H28O6 |
| InChI | InChI=1S/C17H28O6/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/h9,11-13,18,22H,6-8H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1 |
| InChIKey | OLOQSHYLOVYRGK-SVLWDWOGSA-N |
| Instrument Name | GC-MS Thermoquest |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020392i |
| Molecular Weight | 328.405 g/mol |
| Optical Rotation | [a]D25 = +7 (c = 1.07, CHCl3) |
| SMILES | OC[C@]1(CC([C@]2([C@@]1([C@]([C@@](C[C@@]2(OC(C)=O)[H])(C)[H])(C(=O)O)[H])O)[H])(C)C)C |
| SPLASH | splash10-0002-9420000000-87f7c12a153486be93e4 |
| Source of Spectrum | G4-66-348-28 |
| Wiley ID | 1881265 |