| SpectraBase Spectrum ID |
7amc8lR9gBs |
| Name |
Methyl-2,3-dideoxy-2-C-methyl-6-o-triphenylmethyl-.alpha.-D-threo-hexopyranoside-4-ulose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.198759378 u |
| Formula |
C27H28O4 |
| InChI |
InChI=1S/C27H28O4/c1-20-18-24(28)25(31-26(20)29-2)19-30-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,25-26H,18-19H2,1-2H3 |
| InChIKey |
IBFXWFVWRLXPDZ-UHFFFAOYSA-N |
| Molecular Weight |
416.517 g/mol |
| SMILES |
C1C(C(OC(C1C)OC)COC(C=1C=CC=CC1)(C1=CC=CC=C1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834992 |
