| SpectraBase Compound ID | 3c0aEk03ljy |
|---|---|
| InChI | InChI=1S/C23H28O12/c1-12(24)29-10-17-8-6-7-9-18(17)34-23-22(33-16(5)28)21(32-15(4)27)20(31-14(3)26)19(35-23)11-30-13(2)25/h6-9,19-23H,10-11H2,1-5H3/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey | XFAZHUZHNMSADV-XNBWIAOKSA-N |
| Mol Weight | 496.47 g/mol |
| Molecular Formula | C23H28O12 |
| Exact Mass | 496.158076 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LxVyPjgFfxD |
|---|---|
| Name | Salicin pentaacetate |
| Alternate Name(s) | (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(2-(acetoxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate Acetic acid [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(acetyloxymethyl)phenoxy]-2-oxanyl]methyl ester [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(acetyloxymethyl)phenoxy]oxan-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetoxy-6-[2-(acetoxymethyl)phenoxy]tetrahydropyran-2-yl]methyl acetate [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[2-(acetyloxymethyl)phenoxy]oxan-2-yl]methyl ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28O12 |
| InChI | InChI=1S/C23H28O12/c1-12(24)29-10-17-8-6-7-9-18(17)34-23-22(33-16(5)28)21(32-15(4)27)20(31-14(3)26)19(35-23)11-30-13(2)25/h6-9,19-23H,10-11H2,1-5H3/t19-,20-,21+,22-,23-/m1/s1 |
| InChIKey | XFAZHUZHNMSADV-XNBWIAOKSA-N |
| Molecular Weight | 496.465 g/mol |
| SMILES | [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@]1(Oc1c(COC(=O)C)cccc1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-018m-5903000000-f576c839622cd3c5b684 |
| Source of Spectrum | JX-2015-6-13026 |
| Wiley ID | 1731391 |