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Fraxidinglucoside, tetraacetate

View entire compound with spectra: 1 NMR

Fraxidinglucoside, tetraacetate
SpectraBase Compound ID FdGGR9Yml0S
InChI InChI=1S/C25H28O14/c1-11(26)33-10-17-21(34-12(2)27)23(35-13(3)28)24(36-14(4)29)25(37-17)39-22-19-15(7-8-18(30)38-19)9-16(31-5)20(22)32-6/h7-9,17,21,23-25H,10H2,1-6H3/t17-,21-,23+,24-,25+/m1/s1
InChIKey VYCVEJGLIVQRLU-BHYIRMGHSA-N
Mol Weight 552.49 g/mol
Molecular Formula C25H28O14
Exact Mass 552.147906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eryFi7T5Nf
Name Fraxidinglucoside, tetraacetate
Comments Computed using HOSE algorithm
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Exact Mass 552.147905568 u
Formula C25H28O14
InChI InChI=1S/C25H28O14/c1-11(26)33-10-17-21(34-12(2)27)23(35-13(3)28)24(36-14(4)29)25(37-17)39-22-19-15(7-8-18(30)38-19)9-16(31-5)20(22)32-6/h7-9,17,21,23-25H,10H2,1-6H3/t17-,21-,23+,24-,25+/m1/s1
InChIKey VYCVEJGLIVQRLU-BHYIRMGHSA-N
Molecular Weight 552.485 g/mol
SMILES C1(C=CC2=C(O1)C(=C(C(=C2)OC)OC)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])=O