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Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, tetramethyl ether

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Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, tetramethyl ether
SpectraBase Compound ID GejVlMYsc0D
InChI InChI=1S/C21H32O9/c1-23-12-16-18(26-4)19(27-5)20(28-6)21(30-16)29-15-11-14(24-2)9-7-13(15)8-10-17(22)25-3/h7,9,11,16,18-21H,8,10,12H2,1-6H3/t16-,18-,19+,20-,21-/m1/s1
InChIKey BGCFARHEPRWYLR-QNDFHXLGSA-N
Mol Weight 428.5 g/mol
Molecular Formula C21H32O9
Exact Mass 428.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VyfPj5AEAW
Name Methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate, tetramethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.204632601 u
Formula C21H32O9
InChI InChI=1S/C21H32O9/c1-23-12-16-18(26-4)19(27-5)20(28-6)21(30-16)29-15-11-14(24-2)9-7-13(15)8-10-17(22)25-3/h7,9,11,16,18-21H,8,10,12H2,1-6H3/t16-,18-,19+,20-,21-/m1/s1
InChIKey BGCFARHEPRWYLR-QNDFHXLGSA-N
Molecular Weight 428.478 g/mol
SMILES C1=C(C=C(C(=C1)CCC(OC)=O)O[C@@]1(O[C@@]([C@]([C@@]([C@]1(OC)[H])(OC)[H])(OC)[H])(COC)[H])[H])OC