| SpectraBase Compound ID | JKQqyBHbl9w |
|---|---|
| InChI | InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey | OLZAGZCCJJBKNZ-UJPOAAIJSA-N |
| Mol Weight | 284.26 g/mol |
| Molecular Formula | C13H16O7 |
| Exact Mass | 284.089603 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BYaU9DIacdC |
|---|---|
| Name | Helicid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O7 |
| InChI | InChI=1S/C13H16O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-5,9-13,15-18H,6H2/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey | OLZAGZCCJJBKNZ-UJPOAAIJSA-N |
| Molecular Weight | 284.264 g/mol |
| SMILES | O[C@]1([C@@]([C@@](CO)(O[C@]([C@@]1(O)[H])(Oc1ccc(C=O)cc1)[H])[H])(O)[H])[H] |
| SPLASH | splash10-03ki-2900000000-82fda33cc821b2df7adb |
| Source of Spectrum | X2-53-1373-0 |
| Synonyms | 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybenzaldehyde 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybenzaldehyde 4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxybenzaldehyde 4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]benzaldehyde |
| Wiley ID | 1603791 |