| SpectraBase Spectrum ID |
GqWCLQptsCS |
| Name |
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2-(3-methylbutanoyloxymethyl)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-3-yl] (E)-2-methylbut-2-enoat, triacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
788.310279435 u |
| Formula |
C36H52O19 |
| InChI |
InChI=1S/C36H52O19/c1-12-19(6)34(44)53-31-30(50-23(10)40)28(48-21(8)38)25(14-45-20(7)37)52-35(31)55-36(16-47-27(42)13-17(2)3)32(51-24(11)41)29(49-22(9)39)26(54-36)15-46-33(43)18(4)5/h12,17-18,25-26,28-32,35H,13-16H2,1-11H3/b19-12+/t25-,26-,28-,29-,30+,31-,32+,35-,36+/m1/s1 |
| InChIKey |
ONSNQXQLQNPLSG-XWTIKSOJSA-N |
| Molecular Weight |
788.793 g/mol |
| SMILES |
C(OC[C@@]1([C@]([C@](OC(C)=O)([C@@](COC(C(C)C)=O)(O1)[H])[H])(OC(=O)C)[H])O[C@@]1([C@](OC(\C(=C\C)C)=O)([C@@](OC(=O)C)([C@](OC(=O)C)([C@@](COC(C)=O)(O1)[H])[H])[H])[H])[H])(CC(C)C)=O |
![[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2-(3-methylbutanoyloxymethyl)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-3-yl] (E)-2-methylbut-2-enoat, triacetate](/api/spectrum/GqWCLQptsCS/structure.png?h=300&w=458 "[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-4-Acetyloxy-3-hydroxy-2-(3-methylbutanoyloxymethyl)-5-(2-methylpropanoyloxymethyl)oxolan-2-yl]oxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-3-yl] (E)-2-methylbut-2-enoat, triacetate")
