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.beta.-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl, 5me derivative

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.beta.-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl, 5me derivative
SpectraBase Compound ID FCUBUGmM7zB
InChI InChI=1S/C21H34O7/c1-14(23-3)7-8-15-9-11-16(12-10-15)27-21-20(26-6)19(25-5)18(24-4)17(28-21)13-22-2/h9-12,14,17-21H,7-8,13H2,1-6H3/t14?,17-,18-,19+,20-,21-/m1/s1
InChIKey PZRSUNFQLIXDCE-XAXWTWDHSA-N
Mol Weight 398.5 g/mol
Molecular Formula C21H34O7
Exact Mass 398.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eivw4Awp0uj
Name .beta.-D-Glucopyranoside, 4-(3-hydroxybutyl)phenyl, 5me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.230453428 u
Formula C21H34O7
InChI InChI=1S/C21H34O7/c1-14(23-3)7-8-15-9-11-16(12-10-15)27-21-20(26-6)19(25-5)18(24-4)17(28-21)13-22-2/h9-12,14,17-21H,7-8,13H2,1-6H3/t14?,17-,18-,19+,20-,21-/m1/s1
InChIKey PZRSUNFQLIXDCE-XAXWTWDHSA-N
Molecular Weight 398.496 g/mol
SMILES [C@@]1(OC2=CC=C(C=C2)CCC(C)OC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]