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Methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate, triacetate

View entire compound with spectra: 1 NMR

Methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate, triacetate
SpectraBase Compound ID KsDeHNcgA7s
InChI InChI=1S/C22H28O12/c1-10-17(31-11(2)23)19(32-12(3)24)20(33-13(4)25)22(30-10)34-18-15(27-5)8-14(21(26)29-7)9-16(18)28-6/h8-10,17,19-20,22H,1-7H3/t10-,17-,19+,20+,22-/m0/s1
InChIKey XFDUJBRAKFYKIN-FEBSBVIASA-N
Mol Weight 484.45 g/mol
Molecular Formula C22H28O12
Exact Mass 484.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 923lTHDsHCB
Name Methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate, triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.158076330 u
Formula C22H28O12
InChI InChI=1S/C22H28O12/c1-10-17(31-11(2)23)19(32-12(3)24)20(33-13(4)25)22(30-10)34-18-15(27-5)8-14(21(26)29-7)9-16(18)28-6/h8-10,17,19-20,22H,1-7H3/t10-,17-,19+,20+,22-/m0/s1
InChIKey XFDUJBRAKFYKIN-FEBSBVIASA-N
Molecular Weight 484.454 g/mol
SMILES C1(=C(C(=CC(=C1)C(OC)=O)OC)O[C@@]1(O[C@]([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])[H])OC