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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, hexamethyl ether

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, hexamethyl ether
SpectraBase Compound ID Dmv84wDoe0q
InChI InChI=1S/C26H40O12/c1-14-18(29-3)20(31-5)22(33-7)25(35-14)38-23-21(32-6)19(30-4)17(13-28-2)37-26(23)36-16-12-10-9-11-15(16)24(27)34-8/h9-12,14,17-23,25-26H,13H2,1-8H3/t14-,17+,18-,19+,20+,21-,22+,23+,25-,26+/m0/s1
InChIKey SFZBRXHSBOGUBS-LKKFFDMBSA-N
Mol Weight 544.6 g/mol
Molecular Formula C26H40O12
Exact Mass 544.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 814VsreYlX4
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, hexamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.251976716 u
Formula C26H40O12
InChI InChI=1S/C26H40O12/c1-14-18(29-3)20(31-5)22(33-7)25(35-14)38-23-21(32-6)19(30-4)17(13-28-2)37-26(23)36-16-12-10-9-11-15(16)24(27)34-8/h9-12,14,17-23,25-26H,13H2,1-8H3/t14-,17+,18-,19+,20+,21-,22+,23+,25-,26+/m0/s1
InChIKey SFZBRXHSBOGUBS-LKKFFDMBSA-N
Molecular Weight 544.594 g/mol
SMILES [C@]1(O[C@]2([C@](OC=3C(=CC=CC3)C(OC)=O)(O[C@@]([C@]([C@@]2(OC)[H])(OC)[H])(COC)[H])[H])[H])(O[C@]([C@@]([C@]([C@]1(OC)[H])(OC)[H])(OC)[H])(C)[H])[H]