| SpectraBase Compound ID | BQcK8ZP4yTH |
|---|---|
| InChI | InChI=1S/C35H39NO7Se/c1-2-3-4-5-6-15-22-41-35-29(36-32(38)26-20-13-14-21-27(26)33(36)39)30(37)31(43-34(40)24-16-9-7-10-17-24)28(42-35)23-44-25-18-11-8-12-19-25/h7-14,16-21,28-31,35,37H,2-6,15,22-23H2,1H3/t28-,29-,30-,31-,35-/m1/s1 |
| InChIKey | YCAIWSSAWXKFPS-LRTRANQPSA-N |
| Mol Weight | 664.7 g/mol |
| Molecular Formula | C35H39NO7Se |
| Exact Mass | 665.189175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtuqLEDuxz8 |
|---|---|
| Name | Octyl-4-O-Benzoyl-2,6-dideoxy-6-(phenylseleno)-2-phthalimido-.beta.-D-glucopyranoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H39NO7Se |
| InChI | InChI=1S/C35H39NO7Se/c1-2-3-4-5-6-15-22-41-35-29(36-32(38)26-20-13-14-21-27(26)33(36)39)30(37)31(43-34(40)24-16-9-7-10-17-24)28(42-35)23-44-25-18-11-8-12-19-25/h7-14,16-21,28-31,35,37H,2-6,15,22-23H2,1H3/t28-,29-,30-,31-,35-/m1/s1 |
| InChIKey | YCAIWSSAWXKFPS-LRTRANQPSA-N |
| Molecular Weight | 664.669 g/mol |
| SMILES | O[C@@]1([C@@](N2C(c3ccccc3C2=O)=O)([C@@](O[C@](C[Se]c2ccccc2)([C@]1(OC(=O)c1ccccc1)[H])[H])(OCCCCCCCC)[H])[H])[H] |
| SPLASH | splash10-0a4i-0910000000-db9926892670f095c4d3 |
| Source of Spectrum | C-124-10046-8 |
| Wiley ID | 1700898 |