| SpectraBase Spectrum ID |
3gqtROeTdza |
| Name |
3,4,5-tri-o-Benzyl-1,2-o-isopropylidene-.beta.,D-psicopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.235538809 u |
| Formula |
C30H34O6 |
| InChI |
InChI=1S/C30H34O6/c1-29(2)35-22-30(36-29)28(33-20-25-16-10-5-11-17-25)27(32-19-24-14-8-4-9-15-24)26(21-34-30)31-18-23-12-6-3-7-13-23/h3-17,26-28H,18-22H2,1-2H3/t26-,27-,28-,30+/m1/s1 |
| InChIKey |
WRDLILJXRKTBEM-KMPDWKOJSA-N |
| Molecular Weight |
490.596 g/mol |
| SMILES |
[C@]12([C@@]([C@](OCC=3C=CC=CC3)([C@@](CO1)(OCC=1C=CC=CC1)[H])[H])(OCC=1C=CC=CC1)[H])OC(C)(C)OC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861031 |
