| SpectraBase Compound ID | Jt6vfZTbeEN |
|---|---|
| InChI | InChI=1S/C16H18O7/c1-9(17)19-14-11-12(23-16(2,3)22-11)15(21-14)20-13(18)10-7-5-4-6-8-10/h4-8,11-12,14-15H,1-3H3/t11-,12+,14+,15+/m0/s1 |
| InChIKey | LFAUNIDUCGTWBT-CTHBEMJXSA-N |
| Mol Weight | 322.31 g/mol |
| Molecular Formula | C16H18O7 |
| Exact Mass | 322.105253 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BPWKbYxnuXw |
|---|---|
| Name | (4S)-4-O-Acetyl-1-O-Benzoyl-2,3-isopropylidene-.alpha.,D-erythro-tetradialdo-1,4-furanose |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H18O7 |
| InChI | InChI=1S/C16H18O7/c1-9(17)19-14-11-12(23-16(2,3)22-11)15(21-14)20-13(18)10-7-5-4-6-8-10/h4-8,11-12,14-15H,1-3H3/t11-,12+,14+,15+/m0/s1 |
| InChIKey | LFAUNIDUCGTWBT-CTHBEMJXSA-N |
| Molecular Weight | 322.313 g/mol |
| SMILES | [C@@]12([C@@]([C@](OC(=O)C)(O[C@]2(OC(=O)c2ccccc2)[H])[H])(OC(O1)(C)C)[H])[H] |
| SPLASH | splash10-0a4i-1900000000-1893853f1574ab62b426 |
| Source of Spectrum | F-68-5318-24 |
| Synonyms | benzoic acid [(3aR,4S,6S,6aS)-6-acetyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] ester [(3aR,4S,6S,6aS)-6-acetoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] benzoate [(3aR,4S,6S,6aS)-6-acetyloxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] benzoate |
| Wiley ID | 1572861 |