SpectraBase Spectrum ID |
HWBuBjrCtJ9 |
Name |
1,3,4,5-Tetra-o-benzoylhex-2-ulopyranose # |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
596.168247092 u |
Formula |
C34H28O10 |
InChI |
InChI=1S/C34H28O10/c35-30(23-13-5-1-6-14-23)40-22-34(39)29(44-33(38)26-19-11-4-12-20-26)28(43-32(37)25-17-9-3-10-18-25)27(21-41-34)42-31(36)24-15-7-2-8-16-24/h1-20,27-29,39H,21-22H2/t27-,28-,29+,34-/m1/s1 |
InChIKey |
SCEVOPPMGXOQLM-DYKCOLQBSA-N |
Molecular Weight |
596.588 g/mol |
SMILES |
[C@@]1(CO[C@]([C@]([C@@]1(OC(=O)C=1C=CC=CC1)[H])(OC(=O)C1=CC=CC=C1)[H])(O)COC(=O)C1=CC=CC=C1)(OC(=O)C1=CC=CC=C1)[H] |