| SpectraBase Spectrum ID |
HaOpkRcdCmo |
| Name |
Syringin-pentaacetate;1-acetoxy-3-(3,5-dimethoxy)-4-o-(2,3,4,6-tetraacetyl-beta-D-glucopyranosylphenyl)-2-propene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
582.194855761 u |
| Formula |
C27H34O14 |
| InChI |
InChI=1S/C27H34O14/c1-14(28)35-10-8-9-19-11-20(33-6)23(21(12-19)34-7)41-27-26(39-18(5)32)25(38-17(4)31)24(37-16(3)30)22(40-27)13-36-15(2)29/h8-9,11-12,22,24-27H,10,13H2,1-7H3/b9-8+/t22-,24-,25+,26-,27+/m1/s1 |
| InChIKey |
KEQKIMKYTIOSCP-WSUMOVQPSA-N |
| Molecular Weight |
582.555 g/mol |
| SMILES |
C=1(OC)C(=C(C=C(\C=C\COC(=O)C)C1)OC)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95775 |
