| SpectraBase Spectrum ID |
9GPNp8obG6B |
| Name |
5-Hydroxy-6,8-dimethoxy-7-(.beta.-D-glucopyranosyloxy)chromen-2-one, 5ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
610.153384870 u |
| Formula |
C27H30O16 |
| InChI |
InChI=1S/C27H30O16/c1-11(28)36-10-17-21(38-13(3)30)24(39-14(4)31)26(40-15(5)32)27(41-17)43-25-22(34-6)19(37-12(2)29)16-8-9-18(33)42-20(16)23(25)35-7/h8-9,17,21,24,26-27H,10H2,1-7H3/t17-,21-,24+,26-,27+/m1/s1 |
| InChIKey |
QWLRVIMGYUTAFY-ZDMRTXOASA-N |
| Molecular Weight |
610.521 g/mol |
| SMILES |
C1(C=CC2=C(C(=C(C(=C2O1)OC)O[C@]1([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])[H])[H])[H])OC)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953081 |
