| SpectraBase Compound ID | LG3BQgzk4Ur |
|---|---|
| InChI | InChI=1S/C18H28O7/c1-20-11-14-15(21-2)16(22-3)17(23-4)18(25-14)24-13-8-6-5-7-12(13)9-10-19/h5,7-8,10,12,14-18H,6,9,11H2,1-4H3/t12?,14-,15-,16+,17-,18-/m1/s1 |
| InChIKey | ZPJLNIMRCJVGHB-TVSHJMQFSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C18H28O7 |
| Exact Mass | 356.183503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HEW5CjdM4RL |
|---|---|
| Name | 1.beta.-(per-O-Methyl-.beta.,D-glucopyranosyloxy)-6-(2-oxoethyl)-1,4-cyclohexadiene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H28O7 |
| InChI | InChI=1S/C18H28O7/c1-20-11-14-15(21-2)16(22-3)17(23-4)18(25-14)24-13-8-6-5-7-12(13)9-10-19/h5,7-8,10,12,14-18H,6,9,11H2,1-4H3/t12?,14-,15-,16+,17-,18-/m1/s1 |
| InChIKey | ZPJLNIMRCJVGHB-TVSHJMQFSA-N |
| Molecular Weight | 356.415 g/mol |
| SMILES | [C@]1([C@@]([C@@](OC)([C@@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])(OC=1C(C=CCC1)CC=O)[H] |
| SPLASH | splash10-0f72-9700000000-f3e28256268e6556f6a0 |
| Source of Spectrum | QC-1-558-0 |
| Wiley ID | 882929 |