| SpectraBase Spectrum ID |
7usTrwNVroe |
| Name |
Phenyl pentaacetyl-.alpha.-D-altro-heptuloside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.158076330 u |
| Formula |
C23H28O12 |
| InChI |
InChI=1S/C23H28O12/c1-13(24)29-11-19-21(32-15(3)26)22(33-16(4)27)23(35-19,34-17(5)28)20(31-14(2)25)12-30-18-9-7-6-8-10-18/h6-10,19-22H,11-12H2,1-5H3/t19-,20?,21-,22-,23+/m1/s1 |
| InChIKey |
RQPLHZKOEGJJRX-AXVZGZRWSA-N |
| Molecular Weight |
496.465 g/mol |
| SMILES |
[C@@]1([C@@]([C@@](COC(=O)C)(O[C@]1(C(OC(C)=O)COC1=CC=CC=C1)OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91526 |
