| SpectraBase Compound ID | 7aVZRZ8xyn |
|---|---|
| InChI | InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1 |
| InChIKey | SZJVIFMPKWMGSX-AKHDSKFASA-N |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C21H20O5 |
| Exact Mass | 352.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KJiYsCkgJB5 |
|---|---|
| Name | (3aR)-5-(1,1'-Biphenyl-4-carbonyloxy)-hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one |
| Alternate Name(s) | (3aR)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl[1,1'-biphenyl]-4-carboxylate Biphenyl-4-carboxylic acid (3aR,4S,5R,6aS)-4-hydroxymethyl-2-oxo-hexahydro-cyclopenta[b]furan-5-yl ester 4-Phenylbenzoic acid [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] ester [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate [(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxidanylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20O5 |
| InChI | InChI=1S/C21H20O5/c22-12-17-16-10-20(23)25-18(16)11-19(17)26-21(24)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16-19,22H,10-12H2/t16-,17-,18+,19-/m1/s1 |
| InChIKey | SZJVIFMPKWMGSX-AKHDSKFASA-N |
| Molecular Weight | 352.386 g/mol |
| SMILES | OC[C@@]1([C@@]2([C@@](OC(=O)C2)(C[C@]1(OC(c1ccc(cc1)-c1ccccc1)=O)[H])[H])[H])[H] |
| SPLASH | splash10-0f8a-0901000000-f711db5b3e147d825528 |
| Source of Spectrum | G-56-1698-0 |
| Wiley ID | 748273 |