| SpectraBase Spectrum ID |
JWgpIn8kJxd |
| Name |
(3R,4S,5S)-4,5-o-Acetyl-3-o-benzyl-5-((benzyloxy)methyl)-1-cyclohexene-3,4,5-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.188588616 u |
| Formula |
C25H28O6 |
| InChI |
InChI=1S/C25H28O6/c1-19(26)30-24-23(29-17-22-12-7-4-8-13-22)14-9-15-25(24,31-20(2)27)18-28-16-21-10-5-3-6-11-21/h3-14,23-24H,15-18H2,1-2H3/t23-,24+,25+/m1/s1 |
| InChIKey |
FGZPOGYERBGKDU-DSITVLBTSA-N |
| Molecular Weight |
424.493 g/mol |
| SMILES |
[C@]1([C@@](OC(=O)C)([C@](OCC=2C=CC=CC2)(C=CC1)[H])[H])(OC(=O)C)COCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915128 |
