| SpectraBase Spectrum ID |
AizUPGvUT3C |
| Name |
2,3,6-tri-o-Benzoyl-5-o-methyl-D-glucono-1,4-lactone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.142032344 u |
| Formula |
C28H24O9 |
| InChI |
InChI=1S/C28H24O9/c1-33-21(17-34-25(29)18-11-5-2-6-12-18)22-23(36-26(30)19-13-7-3-8-14-19)24(28(32)35-22)37-27(31)20-15-9-4-10-16-20/h2-16,21-24H,17H2,1H3/t21?,22-,23+,24-/m1/s1 |
| InChIKey |
UBOKXHIQXQTJIF-UCBGAZFYSA-N |
| Molecular Weight |
504.491 g/mol |
| SMILES |
[C@@]1([C@]([C@@](C(COC(=O)C2=CC=CC=C2)OC)(OC1=O)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H] |
