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Methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate, hexaacetate

View entire compound with spectra: 1 NMR

Methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate, hexaacetate
SpectraBase Compound ID K0vqAx8nyD0
InChI InChI=1S/C32H40O18/c1-14-24(43-16(3)34)26(45-18(5)36)28(47-20(7)38)31(42-14)50-29-27(46-19(6)37)25(44-17(4)35)23(13-41-15(2)33)49-32(29)48-22-12-10-9-11-21(22)30(39)40-8/h9-12,14,23-29,31-32H,13H2,1-8H3/t14-,23+,24-,25+,26+,27-,28+,29+,31-,32+/m0/s1
InChIKey DYCFTOUHBDOIJO-HZVJXNOISA-N
Mol Weight 712.7 g/mol
Molecular Formula C32H40O18
Exact Mass 712.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5altZK6v3xm
Name Methyl 2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxybenzoate, hexaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 712.221464430 u
Formula C32H40O18
InChI InChI=1S/C32H40O18/c1-14-24(43-16(3)34)26(45-18(5)36)28(47-20(7)38)31(42-14)50-29-27(46-19(6)37)25(44-17(4)35)23(13-41-15(2)33)49-32(29)48-22-12-10-9-11-21(22)30(39)40-8/h9-12,14,23-29,31-32H,13H2,1-8H3/t14-,23+,24-,25+,26+,27-,28+,29+,31-,32+/m0/s1
InChIKey DYCFTOUHBDOIJO-HZVJXNOISA-N
Molecular Weight 712.654 g/mol
SMILES [C@]1(O[C@]2([C@](OC=3C(=CC=CC3)C(OC)=O)(O[C@@]([C@]([C@@]2(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])[H])(O[C@]([C@@]([C@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])[H]