| SpectraBase Spectrum ID |
D8WSsT8k5rh |
| Name |
2-Propenoic acid, 3-phenyl-, ester with 3-methyl-2-[(2,3,4-tri-o-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-pyran -4-one, (E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
544.158076330 u |
| Formula |
C27H28O12 |
| InChI |
InChI=1S/C27H28O12/c1-15-20(31)12-13-33-26(15)39-27-25(37-18(4)30)24(36-17(3)29)23(35-16(2)28)21(38-27)14-34-22(32)11-10-19-8-6-5-7-9-19/h5-13,21,23-25,27H,14H2,1-4H3/b11-10+ |
| InChIKey |
HDJVIWHDEGYPII-ZHACJKMWSA-N |
| Molecular Weight |
544.509 g/mol |
| SMILES |
C1(C(C(OC(=O)C)C(OC1OC1=C(C(=O)C=CO1)C)COC(\C=C\C1=CC=CC=C1)=O)OC(=O)C)OC(=O)C |
![2-Propenoic acid, 3-phenyl-, ester with 3-methyl-2-[(2,3,4-tri-o-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-pyran -4-one, (E)-](/api/spectrum/D8WSsT8k5rh/structure.png?h=300&w=458 "2-Propenoic acid, 3-phenyl-, ester with 3-methyl-2-[(2,3,4-tri-o-acetyl-.beta.-D-glucopyranosyl)oxy]-4H-pyran -4-one, (E)-")
