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

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Methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate, 3tms
SpectraBase Compound ID LpCtUyKTFYB
InChI InChI=1S/C25H46O9Si3/c1-16-20(32-35(5,6)7)22(33-36(8,9)10)23(34-37(11,12)13)25(30-16)31-21-18(27-2)14-17(24(26)29-4)15-19(21)28-3/h14-16,20,22-23,25H,1-13H3/t16-,20-,22+,23+,25-/m0/s1
InChIKey ZHDAIJBPTHVBNS-NRQXJWDSSA-N
Mol Weight 574.9 g/mol
Molecular Formula C25H46O9Si3
Exact Mass 574.244963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1NJ0M9gz1s
Name Methyl 3,5-dimethoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybenzoate, 3tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 574.244962657 u
Formula C25H46O9Si3
InChI InChI=1S/C25H46O9Si3/c1-16-20(32-35(5,6)7)22(33-36(8,9)10)23(34-37(11,12)13)25(30-16)31-21-18(27-2)14-17(24(26)29-4)15-19(21)28-3/h14-16,20,22-23,25H,1-13H3/t16-,20-,22+,23+,25-/m0/s1
InChIKey ZHDAIJBPTHVBNS-NRQXJWDSSA-N
Molecular Weight 574.889 g/mol
SMILES C1(=C(C(=CC(=C1)C(OC)=O)OC)O[C@@]1(O[C@]([C@@]([C@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(C)[H])[H])OC