| SpectraBase Spectrum ID |
97yW84o28dF |
| Name |
8-[3-Hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one tetraacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
608.210505825 u |
| Formula |
C29H36O14 |
| InChI |
InChI=1S/C29H36O14/c1-14(30)37-13-21-25(38-15(2)31)26(39-16(3)32)27(40-17(4)33)28(41-21)42-22(29(5,6)35)12-19-20(36-7)10-8-18-9-11-23(34)43-24(18)19/h8-11,21-22,25-28,35H,12-13H2,1-7H3 |
| InChIKey |
GBGRMZIZUOLAQQ-UHFFFAOYSA-N |
| Molecular Weight |
608.593 g/mol |
| SMILES |
C1=C(C(=C2C(=C1)C=CC(O2)=O)CC(C(C)(C)O)OC1OC(C(C(C1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)OC |
![8-[3-Hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one tetraacetate](/api/spectrum/97yW84o28dF/structure.png?h=300&w=458 "8-[3-Hydroxy-3-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one tetraacetate")
