| SpectraBase Spectrum ID |
JgG5vr8Mbhp |
| Name |
(2R,3R,4S,5S,6S)-3,5-Diacetoxy-6-benzyloxymethoxymethyl-2-methoxy-4-methyl-3,4,5,6-tetrahydro-2H-pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.178417854 u |
| Formula |
C20H28O8 |
| InChI |
InChI=1S/C20H28O8/c1-12-16(26-13(2)21)18(28-20(24-5)17(12)27-14(3)22)19(23-4)25-11-15-9-7-6-8-10-15/h6-10,12,16-20H,11H2,1-5H3/t12-,16-,17+,18-,19?,20+/m0/s1 |
| InChIKey |
OYZVWPKEQKVVRF-WPVURCEXSA-N |
| Molecular Weight |
396.436 g/mol |
| SMILES |
[C@@]1([C@]([C@](C)([C@]([C@@](O1)(OC)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(C(OCC=1C=CC=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953509 |
