| SpectraBase Compound ID | LNPEQaZUv89 |
|---|---|
| InChI | InChI=1S/C19H31NO8/c1-16(2,3)14(22)24-10-19-13(26-18(7,8)28-19)12(25-11-21)9-20(19)15(23)27-17(4,5)6/h11-13H,9-10H2,1-8H3/t12-,13+,19+/m1/s1 |
| InChIKey | QDQGDBDVSXIHMT-NQCMUKECSA-N |
| Mol Weight | 401.46 g/mol |
| Molecular Formula | C19H31NO8 |
| Exact Mass | 401.204967 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7bQF9mlL8Ge |
|---|---|
| Name | 5-(tert-Butoxycarbonyl)amino-5-deoxy-4-O-formyl-2,3-O-isopropylidene-1-O-pivaloyl-a-D-xylulofuranose |
| Alternate Name(s) | (3aS,6R,6aS)-tert-butyl 6-(formyloxy)-2,2-dimethyl-3a-((pivaloyloxy)methyl)dihydro-3aH-[1,3]dioxolo[4,5-b]pyrrole-4(5H)-carboxylate (3aS,6R,6aS)-3a-[(2,2-dimethyl-1-oxopropoxy)methyl]-6-formyloxy-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylic acid tert-butyl ester tert-Butyl (3aS,6R,6aS)-3a-(2,2-dimethylpropanoyloxymethyl)-6-formyloxy-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate tert-Butyl (3aS,6R,6aS)-3a-(2,2-dimethylpropanoyloxymethyl)-6-methanoyloxy-2,2-dimethyl-6,6a-dihydro-5H-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H31NO8 |
| InChI | InChI=1S/C19H31NO8/c1-16(2,3)14(22)24-10-19-13(26-18(7,8)28-19)12(25-11-21)9-20(19)15(23)27-17(4,5)6/h11-13H,9-10H2,1-8H3/t12-,13+,19+/m1/s1 |
| InChIKey | QDQGDBDVSXIHMT-NQCMUKECSA-N |
| Literature Reference DOI | 10.1021/jo401041s |
| Molecular Weight | 401.456 g/mol |
| SMILES | C1(C)(C)O[C@@]2([C@@](N(C(=O)OC(C)(C)C)C[C@]2(OC=O)[H])(O1)COC(=O)C(C)(C)C)[H] |
| SPLASH | splash10-0a90-9930000000-ab9a8c5ea3d96dd7bf68 |
| Source of Spectrum | J-78-7541-39 |
| Wiley ID | 1745657 |