| SpectraBase Spectrum ID |
85PYotE31UY |
| Name |
Pentaacetyl-o-(o-cresyl) D-glucoheptuloside |
| 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/c1-13-9-7-8-10-19(13)35-24(12-31-15(3)26)23(34-18(6)29)22(33-17(5)28)21(32-16(4)27)20(36-24)11-30-14(2)25/h7-10,20-23H,11-12H2,1-6H3/t20-,21-,22+,23-,24+/m1/s1 |
| InChIKey |
SLESGRBSQHIKPP-SJSRKZJXSA-N |
| Molecular Weight |
510.492 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(=O)C)OC1=CC=CC=C1C)(COC(=O)C)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954104 |
