| SpectraBase Spectrum ID |
Klif7zbgsEo |
| Name |
6''-o-.beta.,D-Glucopyranosyl-3''-(2''-acetoxyethyl)benzene tetraacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.173726394 u |
| Formula |
C24H30O12 |
| InChI |
InChI=1S/C24H30O12/c1-13(25)30-11-10-18-6-8-19(9-7-18)35-24-23(34-17(5)29)22(33-16(4)28)21(32-15(3)27)20(36-24)12-31-14(2)26/h6-9,20-24H,10-12H2,1-5H3/t20-,21+,22-,23+,24+/m0/s1 |
| InChIKey |
IKULECGOZUWQES-OEYYQIPYSA-N |
| Molecular Weight |
510.492 g/mol |
| SMILES |
[C@@]1([C@]([C@](OC(=O)C)([C@@](O[C@]1(OC1=CC=C(C=C1)CCOC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970578 |
