| SpectraBase Spectrum ID |
K8hXfTa0Di5 |
| Name |
3,5-bis-(2,3,4,6-Tetra-o-acetyl-D-glucopyranosyl)-benzoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
842.248073099 u |
| Formula |
C37H46O22 |
| InChI |
InChI=1S/C37H46O22/c1-10-47-35(46)24-11-25(56-36-33(54-22(8)44)31(52-20(6)42)29(50-18(4)40)27(58-36)14-48-16(2)38)13-26(12-24)57-37-34(55-23(9)45)32(53-21(7)43)30(51-19(5)41)28(59-37)15-49-17(3)39/h11-13,27-34,36-37H,10,14-15H2,1-9H3/t27-,28-,29+,30+,31-,32-,33-,34-,36+,37+/m0/s1 |
| InChIKey |
VYAKGMDSAXZKHB-XZKHDKNNSA-N |
| Molecular Weight |
842.753 g/mol |
| SMILES |
CC(O[C@@]1([C@@](O[C@]([C@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])(Oc1cc(cc(c1)O[C@@]1(O[C@]([C@]([C@@]([C@@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)[H])[H])C(OCC)=O)[H])[H])=O |
