SpectraBase Spectrum ID |
DI1ZOV50KBq |
Name |
1,3,5-tri-o-Benzoyl-2-deoxypentofuranose |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.136553041 u |
Formula |
C26H22O7 |
InChI |
InChI=1S/C26H22O7/c27-24(18-10-4-1-5-11-18)30-17-22-21(32-25(28)19-12-6-2-7-13-19)16-23(31-22)33-26(29)20-14-8-3-9-15-20/h1-15,21-23H,16-17H2/t21-,22+,23+/m0/s1 |
InChIKey |
BEODWWVAXXZRMB-YTFSRNRJSA-N |
Molecular Weight |
446.455 g/mol |
SMILES |
C1[C@@]([C@@](COC(=O)C2=CC=CC=C2)(O[C@@]1(OC(=O)C1=CC=CC=C1)[H])[H])(OC(=O)C1=CC=CC=C1)[H] |