| SpectraBase Compound ID | 9Z02WcfNPO8 |
|---|---|
| InChI | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | BJRNKVDFDLYUGJ-RMPHRYRLSA-N |
| Mol Weight | 272.25 g/mol |
| Molecular Formula | C12H16O7 |
| Exact Mass | 272.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Cqrf1rZAB |
|---|---|
| Name | Arbutin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O7 |
| InChI | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
| InChIKey | BJRNKVDFDLYUGJ-RMPHRYRLSA-N |
| Molecular Weight | 272.253 g/mol |
| SMILES | Oc1ccc(O[C@]2([C@@]([C@]([C@@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H])cc1 |
| SPLASH | splash10-03di-0900000000-942c36674980d32445b0 |
| Source of Spectrum | CJC-18-616-616_2 |
| Synonyms | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-(4-hydroxyphenoxy)-6-methylol-tetrahydropyran-3,4,5-triol (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol 4-Hydroxyphenyl .beta.-D-glucopyranoside |
| Wiley ID | 1773480 |