| SpectraBase Spectrum ID |
K5RqqEllxRt |
| Name |
.alpha.-D-Allofuranose, 1,2-o-(1-methylethylidene)-5-C-(nitromethyl)-3-o-(phenylmethyl)-, 6-benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.168581444 u |
| Formula |
C24H27NO9 |
| InChI |
InChI=1S/C24H27NO9/c1-23(2)33-19-18(30-13-16-9-5-3-6-10-16)20(32-22(19)34-23)24(27,14-25(28)29)15-31-21(26)17-11-7-4-8-12-17/h3-12,18-20,22,27H,13-15H2,1-2H3/t18-,19+,20-,22+,24+/m0/s1 |
| InChIKey |
LVJXPHFISWJWDL-XGOKPOCQSA-N |
| Molecular Weight |
473.478 g/mol |
| SMILES |
[C@]12([C@](O[C@@]([C@]2(OCC2=CC=CC=C2)[H])([C@@](CN(=O)=O)(COC(=O)C=2C=CC=CC2)O)[H])(OC(O1)(C)C)[H])[H] |
