| SpectraBase Compound ID | Elisx3ebi5G |
|---|---|
| InChI | InChI=1S/C15H20O8/c1-8(16)20-12-6-5-7-13(21-9(2)17)15(23-11(4)19)14(12)22-10(3)18/h5-6,12-15H,7H2,1-4H3/t12-,13-,14+,15-/m1/s1 |
| InChIKey | CVMROLROAFZEOV-APIJFGDWSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C15H20O8 |
| Exact Mass | 328.115818 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtN7ToZKOnf |
|---|---|
| Name | (1R,2R,3S,4R)-1,2,3,4-Tetra-O-acetylcyclohept-5-ene-1,2,3,4-tetrol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O8 |
| InChI | InChI=1S/C15H20O8/c1-8(16)20-12-6-5-7-13(21-9(2)17)15(23-11(4)19)14(12)22-10(3)18/h5-6,12-15H,7H2,1-4H3/t12-,13-,14+,15-/m1/s1 |
| InChIKey | CVMROLROAFZEOV-APIJFGDWSA-N |
| Molecular Weight | 328.317 g/mol |
| SMILES | [C@@]1([C@@]([C@](OC(=O)C)(CC=C[C@]1(OC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH | splash10-0006-9000000000-460d24b3aa6ba0a3c669 |
| Source of Spectrum | J-65-5419-16 |
| Synonyms | (1R,2S,3R,7R)-2,3,7-tris(acetyloxy)-4-cyclohepten-1-yl acetate acetic acid[(1R,5R,6S,7R)-5,6,7-triacetoxycyclohept-3-en-1-yl]ester acetic acid[(1R,5R,6S,7R)-5,6,7-triacetyloxy-1-cyclohept-3-enyl]ester [(1R,5R,6S,7R)-5,6,7-triacetoxycyclohept-3-en-1-yl]acetate [(1R,5R,6S,7R)-5,6,7-triacetyloxycyclohept-3-en-1-yl]acetate [(1R,5R,6S,7R)-5,6,7-triacetyloxycyclohept-3-en-1-yl]ethanoate acetic acid [(1R,5R,6S,7R)-5,6,7-triacetyloxy-1-cyclohept-3-enyl] ester [(1R,5R,6S,7R)-5,6,7-triacetyloxycyclohept-3-en-1-yl] acetate [(1R,5R,6S,7R)-5,6,7-triacetoxycyclohept-3-en-1-yl] acetate [(1R,5R,6S,7R)-5,6,7-triacetyloxycyclohept-3-en-1-yl] ethanoate |
| Wiley ID | 1533045 |