| SpectraBase Spectrum ID |
5bSPcp6qZxI |
| Name |
1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone pentaacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.168641013 u |
| Formula |
C25H30O13 |
| InChI |
InChI=1S/C25H30O13/c1-11-8-18(9-19(33-14(4)28)21(11)12(2)26)37-25-24(36-17(7)31)23(35-16(6)30)22(34-15(5)29)20(38-25)10-32-13(3)27/h8-9,20,22-25H,10H2,1-7H3/t20-,22-,23+,24-,25-/m1/s1 |
| InChIKey |
QWJNNZSSVVNMCG-PRDVQWLOSA-N |
| Molecular Weight |
538.502 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC(C)=O)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C)C(C)=O |
![1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone pentaacetate](/api/spectrum/5bSPcp6qZxI/structure.png?h=300&w=458 "1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone pentaacetate")
