![(3aR,6S,7R,7aR)-6,7-Diacetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester](/api/spectrum/DPT3NccI8Ub/structure.png?h=300&w=458 "(3aR,6S,7R,7aR)-6,7-Diacetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester")
| SpectraBase Compound ID | 5xQzp8iFJ7d |
|---|---|
| InChI | InChI=1S/C15H20O8/c1-7(16)20-11-9(14(18)19-5)6-10-12(13(11)21-8(2)17)23-15(3,4)22-10/h6,10-13H,1-5H3/t10-,11+,12-,13-/m1/s1 |
| InChIKey | UQGJUAIWQKUXMQ-YVECIDJPSA-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 | DPT3NccI8Ub |
|---|---|
| Name | (3aR,6S,7R,7aR)-6,7-Diacetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-benzo[1,3]dioxole-5-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O8 |
| InChI | InChI=1S/C15H20O8/c1-7(16)20-11-9(14(18)19-5)6-10-12(13(11)21-8(2)17)23-15(3,4)22-10/h6,10-13H,1-5H3/t10-,11+,12-,13-/m1/s1 |
| InChIKey | UQGJUAIWQKUXMQ-YVECIDJPSA-N |
| Molecular Weight | 328.317 g/mol |
| SMILES | C=1([C@@]([C@@](OC(=O)C)([C@]2([C@@](C1)(OC(C)(C)O2)[H])[H])[H])(OC(=O)C)[H])C(=O)OC |
| SPLASH | splash10-03xr-0934000000-e5a03b5bb7ee29d99d1c |
| Source of Spectrum | F5-3-1959-23 |
| Synonyms | Methyl 6,7-bis(acetyloxy)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-carrboxylate (3aR,4R,5S,7aR)-6-(methoxycarbonyl)-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole-4,5-diyl diacetate (3aR,6S,7R,7aR)-6,7-diacetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Methyl (3aR,6S,7R,7aR)-6,7-diacetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Methyl (3aR,6S,7R,7aR)-6,7-diacetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate |
| Wiley ID | 1732332 |