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1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 5me derivative

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1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 5me derivative
SpectraBase Compound ID 85LwRGp3UnY
InChI InChI=1S/C23H30O9/c1-25-12-17-19(27-3)20(28-4)21(29-5)23(32-17)31-16-11-15(22(24)30-6)18(26-2)14-10-8-7-9-13(14)16/h7-11,17,19-21,23H,12H2,1-6H3/t17-,19-,20+,21-,23-/m1/s1
InChIKey MMJWOHDZFVTCQO-OXUVVOBNSA-N
Mol Weight 450.48 g/mol
Molecular Formula C23H30O9
Exact Mass 450.188983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17VljlBmdAg
Name 1-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxylic acid, 5me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.188982537 u
Formula C23H30O9
InChI InChI=1S/C23H30O9/c1-25-12-17-19(27-3)20(28-4)21(29-5)23(32-17)31-16-11-15(22(24)30-6)18(26-2)14-10-8-7-9-13(14)16/h7-11,17,19-21,23H,12H2,1-6H3/t17-,19-,20+,21-,23-/m1/s1
InChIKey MMJWOHDZFVTCQO-OXUVVOBNSA-N
Molecular Weight 450.484 g/mol
SMILES [C@@]1([C@]([C@@]([C@]([C@@](O1)(OC=1C2=CC=CC=C2C(=C(C(OC)=O)C1)OC)[H])(OC)[H])(OC)[H])(OC)[H])(COC)[H]