![.beta.-D-Glucopyranoside, cyclohexyl 2-deoxy-2-[(3-methyl-1-oxobutyl)amino]-, 3-benzenepropanoate](/api/spectrum/B3xc5ma9nfM/structure.png?h=300&w=458 ".beta.-D-Glucopyranoside, cyclohexyl 2-deoxy-2-[(3-methyl-1-oxobutyl)amino]-, 3-benzenepropanoate")
| SpectraBase Compound ID | LRPJCTjs5Fa |
|---|---|
| InChI | InChI=1S/C26H39NO7/c1-17(2)15-21(29)27-23-25(34-22(30)14-13-18-9-5-3-6-10-18)24(31)20(16-28)33-26(23)32-19-11-7-4-8-12-19/h3,5-6,9-10,17,19-20,23-26,28,31H,4,7-8,11-16H2,1-2H3,(H,27,29)/t20-,23-,24-,25-,26-/m1/s1 |
| InChIKey | KTGVJVAAJYFDMH-VKQKEIENSA-N |
| Mol Weight | 477.6 g/mol |
| Molecular Formula | C26H39NO7 |
| Exact Mass | 477.272653 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3xc5ma9nfM |
|---|---|
| Name | .beta.-D-Glucopyranoside, cyclohexyl 2-deoxy-2-[(3-methyl-1-oxobutyl)amino]-, 3-benzenepropanoate |
| CAS Registry Number | 79284-54-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H39NO7 |
| InChI | InChI=1S/C26H39NO7/c1-17(2)15-21(29)27-23-25(34-22(30)14-13-18-9-5-3-6-10-18)24(31)20(16-28)33-26(23)32-19-11-7-4-8-12-19/h3,5-6,9-10,17,19-20,23-26,28,31H,4,7-8,11-16H2,1-2H3,(H,27,29)/t20-,23-,24-,25-,26-/m1/s1 |
| InChIKey | KTGVJVAAJYFDMH-VKQKEIENSA-N |
| Molecular Weight | 477.598 g/mol |
| SMILES | O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO)[H])(OC1CCCCC1)[H])(NC(=O)CC(C)C)[H])(OC(=O)CCc1ccccc1)[H])[H] |
| SPLASH | splash10-0abi-6910000000-decc43604c4c8d1859dc |
| Source of Spectrum | F-37-1890-0 |
| Synonyms | Cyclohexyl 2-deoxy-2-(3-methyl-1-oxobutyl)amino-3-O-(1-oxo-3-phenylpropyl)-.beta.-D-glucopyranoside cyclohexyl 2-deoxy-2-[(3-methylbutanoyl)amino]-3-O-(3-phenylpropanoyl)-.beta.-D-glucopyranoside |
| Wiley ID | 1394534 |