| SpectraBase Compound ID | LBtxOVPjoyV |
|---|---|
| InChI | InChI=1S/C19H25NO9/c1-4-25-17(22)12(20(23)24)13(21)14-15(26-10-11-8-6-5-7-9-11)16-18(27-14)29-19(2,3)28-16/h5-9,12-16,18,21H,4,10H2,1-3H3/t12?,13-,14-,15+,16-,18-/m1/s1 |
| InChIKey | QVTYKAPSKOQEHS-IQEPPOAQSA-N |
| Mol Weight | 411.41 g/mol |
| Molecular Formula | C19H25NO9 |
| Exact Mass | 411.152931 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1r0M0bcYbYp |
|---|---|
| Name | Ethyl 3-O-benzyl-6-deoxy-6-nitro-1,2-O-isopropyl-D,L-glycero-.alpha.,D-glucoheptofuronate |
| Alternate Name(s) | (3R)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-2-nitropropanoic acid ethyl ester Ethyl (3R)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-2-nitropropanoate Ethyl (3R)-3-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-hydroxy-2-nitro-propanoate Ethyl (3R)-3-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-nitro-3-oxidanyl-propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H25NO9 |
| InChI | InChI=1S/C19H25NO9/c1-4-25-17(22)12(20(23)24)13(21)14-15(26-10-11-8-6-5-7-9-11)16-18(27-14)29-19(2,3)28-16/h5-9,12-16,18,21H,4,10H2,1-3H3/t12?,13-,14-,15+,16-,18-/m1/s1 |
| InChIKey | QVTYKAPSKOQEHS-IQEPPOAQSA-N |
| Molecular Weight | 411.407 g/mol |
| SMILES | O[C@@]([C@@]1([C@@]([C@]2(OC(O[C@]2(O1)[H])(C)C)[H])(OCc1ccccc1)[H])[H])(C(N(=O)=O)C(=O)OCC)[H] |
| SPLASH | splash10-0006-9000000000-11c3732748587a3b249b |
| Source of Spectrum | KD-14-1656-5 |
| Wiley ID | 1636129 |