| SpectraBase Spectrum ID |
7TdQlftKO49 |
| Name |
2-(2-Phenylethoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
668.231635192 u |
| Formula |
C31H40O16 |
| InChI |
InChI=1S/C31H40O16/c1-16(32)41-23-14-39-30(28(45-20(5)36)26(23)43-18(3)34)40-15-24-25(42-17(2)33)27(44-19(4)35)29(46-21(6)37)31(47-24)38-13-12-22-10-8-7-9-11-22/h7-11,23-31H,12-15H2,1-6H3 |
| InChIKey |
JYEKMJFKEGXZIX-UHFFFAOYSA-N |
| SMILES |
C(=O)(C)OC1C(OCC(OC(C)=O)C1OC(C)=O)OCC1OC(OCCC2=CC=CC=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
![2-(2-Phenylethoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate (isomer 1)](/api/spectrum/7TdQlftKO49/structure.png?h=300&w=458 "2-(2-Phenylethoxy)-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol, hexaacetate (isomer 1)")
