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.beta.-D-Glucopyranoside, 4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenyl, 7me derivative

View entire compound with spectra: 1 NMR

.beta.-D-Glucopyranoside, 4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenyl, 7me derivative
SpectraBase Compound ID 2jrypJZEBdH
InChI InChI=1S/C33H50O12/c1-34-16-10-11-21-12-14-23(25(17-21)37-4)43-27(19-35-2)29(39-6)22-13-15-24(26(18-22)38-5)44-33-32(42-9)31(41-8)30(40-7)28(45-33)20-36-3/h12-15,17-18,27-33H,10-11,16,19-20H2,1-9H3/t27-,28-,29+,30-,31+,32-,33-/m1/s1
InChIKey OIQIUBAZNWZYED-BTXCWCIGSA-N
Mol Weight 638.8 g/mol
Molecular Formula C33H50O12
Exact Mass 638.330227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9N909Z75gft
Name .beta.-D-Glucopyranoside, 4-[(1S,2R)-1,3-dihydroxy-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propyl]-2-methoxyphenyl, 7me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 638.330227038 u
Formula C33H50O12
InChI InChI=1S/C33H50O12/c1-34-16-10-11-21-12-14-23(25(17-21)37-4)43-27(19-35-2)29(39-6)22-13-15-24(26(18-22)38-5)44-33-32(42-9)31(41-8)30(40-7)28(45-33)20-36-3/h12-15,17-18,27-33H,10-11,16,19-20H2,1-9H3/t27-,28-,29+,30-,31+,32-,33-/m1/s1
InChIKey OIQIUBAZNWZYED-BTXCWCIGSA-N
Molecular Weight 638.751 g/mol
SMILES [C@@]1(OC2=C(C=C(C=C2)[C@@]([C@@](COC)(OC2=C(C=C(C=C2)CCCOC)OC)[H])(OC)[H])OC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]