| SpectraBase Compound ID | KLklKoNuZtt |
|---|---|
| InChI | InChI=1S/C22H21N3O7/c1-13(29-21(27)15-9-5-3-6-10-15)17-18(32-22(28)16-11-7-4-8-12-16)19(30-14(2)26)20(31-17)24-25-23/h3-13,17-20H,1-2H3/t13-,17-,18-,19-,20-/m1/s1 |
| InChIKey | QXGGPXSVIUCHPN-NVAYWJMMSA-N |
| Mol Weight | 439.42 g/mol |
| Molecular Formula | C22H21N3O7 |
| Exact Mass | 439.13795 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gsj4z2X8N7F |
|---|---|
| Name | .beta.-D-Allofuranosyl azide, 6-deoxy-, 2-acetate 3,5-dibenzoate |
| Alternate Name(s) | (2R,3R,4R,5R)-4-(acetyloxy)-5-azido-2-[(1R)-1-(benzoyloxy)ethyl]oxolan-3-yl benzoate 2-O-acetyl-6-desoxy-3,5-O-dibenzoyl-.alpha.-D-allofuranosylazide 2-O-acetyl-6-desoxy-3,5-O-dibenzoyl-.beta.-D-allofuranosylazide benzoic acid[(2R,3R,4R,5R)-4-acetoxy-5-azido-2-[(1R)-1-benzoyloxyethyl]tetrahydrofuran-3-yl]ester benzoic acid[(2R,3R,4R,5R)-4-acetyloxy-5-azido-2-[(1R)-1-benzoyloxyethyl]-3-oxolanyl]ester [(2R,3R,4R,5R)-4-acetoxy-5-azido-2-[(1R)-1-benzoyloxyethyl]tetrahydrofuran-3-yl]benzoate [(2R,3R,4R,5R)-4-acetyloxy-5-azido-2-[(1R)-1-(phenylcarbonyloxy)ethyl]oxolan-3-yl]benzoate benzoic acid [(2R,3R,4R,5R)-4-acetyloxy-5-azido-2-[(1R)-1-benzoyloxyethyl]-3-oxolanyl] ester [(2R,3R,4R,5R)-4-acetyloxy-5-azido-2-[(1R)-1-benzoyloxyethyl]oxolan-3-yl] benzoate [(2R,3R,4R,5R)-4-acetoxy-5-azido-2-[(1R)-1-benzoyloxyethyl]tetrahydrofuran-3-yl] benzoate [(2R,3R,4R,5R)-4-acetyloxy-5-azido-2-[(1R)-1-(phenylcarbonyloxy)ethyl]oxolan-3-yl] benzoate |
| CAS Registry Number | 131361-81-4 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21N3O7 |
| InChI | InChI=1S/C22H21N3O7/c1-13(29-21(27)15-9-5-3-6-10-15)17-18(32-22(28)16-11-7-4-8-12-16)19(30-14(2)26)20(31-17)24-25-23/h3-13,17-20H,1-2H3/t13-,17-,18-,19-,20-/m1/s1 |
| InChIKey | QXGGPXSVIUCHPN-NVAYWJMMSA-N |
| Molecular Weight | 439.424 g/mol |
| SMILES | [C@]1([C@]([C@](N=[N+]=[N-])(O[C@@]1([C@](OC(=O)c1ccccc1)(C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)c1ccccc1)[H] |
| SPLASH | splash10-0002-0009000000-b0db7d8a27573078cd65 |
| Source of Spectrum | AH-121-687-12 |
| Wiley ID | 1384400 |