| SpectraBase Spectrum ID |
JFqjfryUzRl |
| Name |
.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.173726394 u |
| Formula |
C25H30O12 |
| InChI |
InChI=1S/C25H30O12/c1-14(26)31-12-6-7-19-8-10-20(11-9-19)36-25-24(35-18(5)30)23(34-17(4)29)22(33-16(3)28)21(37-25)13-32-15(2)27/h6-11,21-25H,12-13H2,1-5H3/b7-6+/t21-,22-,23+,24-,25-/m1/s1 |
| InChIKey |
OMQVUDHHTLVTKU-JDPJDOASSA-N |
| Molecular Weight |
522.503 g/mol |
| SMILES |
C1=C(C=CC(=C1)\C=C\COC(=O)C)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976068 |
![.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, pentaacetate](/api/spectrum/JFqjfryUzRl/structure.png?h=300&w=458 ".beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, pentaacetate")
