| SpectraBase Compound ID | 4LZJN8nl1RD |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h10,12-14,18-19,21H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1 |
| InChIKey | ZTCADFMXQOOSBU-GKKOWQTJSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2EFHH7IHI65 |
|---|---|
| Name | Botrydiol |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h10,12-14,18-19,21H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1 |
| InChIKey | ZTCADFMXQOOSBU-GKKOWQTJSA-N |
| Instrument Name | GC-MS Thermoquest |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020392i |
| Molecular Weight | 314.422 g/mol |
| Optical Rotation | [a]D20 = +7 (c = 1.15, CHCl3) |
| SMILES | OC[C@]1(CC([C@@]2([C@](C[C@]([C@@]([C@]12O)(CO)[H])(C)[H])(OC(C)=O)[H])[H])(C)C)C |
| SPLASH | splash10-0002-3390000000-56de3bc806b446aaaccd |
| Source of Spectrum | G4-66-347-22 |
| Wiley ID | 1881262 |