| SpectraBase Spectrum ID |
ITFtSSqvbgv |
| Name |
{3-Hydroxy-5-[(3R,4R)-4-(3-hydroxy-benzyl)-2-oxo-tetrahydro-furan-3-yl methyl]-phenoxy}-acetic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.152203106 u |
| Formula |
C22H24O7 |
| InChI |
InChI=1S/C22H24O7/c1-2-27-21(25)13-28-19-9-15(8-18(24)11-19)10-20-16(12-29-22(20)26)6-14-4-3-5-17(23)7-14/h3-5,7-9,11,16,20,23-24H,2,6,10,12-13H2,1H3/t16-,20+/m0/s1 |
| InChIKey |
SJPNUVYPGDJYOV-OXJNMPFZSA-N |
| Molecular Weight |
400.427 g/mol |
| SMILES |
C1([C@@]([C@@](CC2=CC(O)=CC=C2)(CO1)[H])(CC=1C=C(OCC(=O)OCC)C=C(C1)O)[H])=O |
![{3-Hydroxy-5-[(3R,4R)-4-(3-hydroxy-benzyl)-2-oxo-tetrahydro-furan-3-yl methyl]-phenoxy}-acetic acid ethyl ester](/api/spectrum/ITFtSSqvbgv/structure.png?h=300&w=458 "{3-Hydroxy-5-[(3R,4R)-4-(3-hydroxy-benzyl)-2-oxo-tetrahydro-furan-3-yl methyl]-phenoxy}-acetic acid ethyl ester")
