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Methyl 3-(4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)propanoate, 4-o-.beta.-D-glucopyranoside, pentaacetate

View entire compound with spectra: 1 NMR

Methyl 3-(4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)propanoate, 4-o-.beta.-D-glucopyranoside, pentaacetate
SpectraBase Compound ID LwBo2ur978L
InChI InChI=1S/C31H40O15/c1-15(32)39-14-23-27(40-16(2)33)28(41-17(3)34)29(42-18(4)35)30(44-23)45-26-20(10-12-25(37)38-8)9-11-22-21(26)13-24(43-22)31(6,7)46-19(5)36/h9,11,23-24,27-30H,10,12-14H2,1-8H3/t23-,24?,27-,28+,29-,30+/m1/s1
InChIKey LFKHBRUVZGWHAX-JJQMQWFWSA-N
Mol Weight 652.6 g/mol
Molecular Formula C31H40O15
Exact Mass 652.236721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jVGI8GPbzF
Name Methyl 3-(4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)propanoate, 4-o-.beta.-D-glucopyranoside, pentaacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 652.236720573 u
Formula C31H40O15
InChI InChI=1S/C31H40O15/c1-15(32)39-14-23-27(40-16(2)33)28(41-17(3)34)29(42-18(4)35)30(44-23)45-26-20(10-12-25(37)38-8)9-11-22-21(26)13-24(43-22)31(6,7)46-19(5)36/h9,11,23-24,27-30H,10,12-14H2,1-8H3/t23-,24?,27-,28+,29-,30+/m1/s1
InChIKey LFKHBRUVZGWHAX-JJQMQWFWSA-N
Molecular Weight 652.646 g/mol
SMILES C(CCC1=CC=C2OC(CC2=C1O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(OC(C)=O)(C)C)(=O)OC