| SpectraBase Spectrum ID |
7AFvmdMAA2l |
| Name |
.beta.-D-Ribofuranoside, phenylmethyl 5-o-(2,3,4,6-tetra-o-acetyl-.beta.-D-glucopyranosyl)-, diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
654.215985128 u |
| Formula |
C30H38O16 |
| InChI |
InChI=1S/C30H38O16/c1-15(31)37-13-22-24(40-16(2)32)26(42-18(4)34)28(44-20(6)36)30(45-22)39-14-23-25(41-17(3)33)27(43-19(5)35)29(46-23)38-12-21-10-8-7-9-11-21/h7-11,22-30H,12-14H2,1-6H3/t22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1 |
| InChIKey |
UANQXTMQLCANSA-UBCCENJDSA-N |
| SMILES |
[C@@]1([C@]([C@](OC[C@@]2([C@]([C@@](OC(=O)C)([C@@](O2)(OCC=2C=CC=CC2)[H])[H])(OC(=O)C)[H])[H])(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970171 |
