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.beta.-D-Glucopyranoside, 2-methoxy-4-[(2S,3R,4R)-tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl, hexamethyl ether
SpectraBase Compound ID 9sxYgZxOtU
InChI InChI=1S/C32H46O11/c1-33-17-22-21(13-19-9-11-23(35-3)25(14-19)36-4)16-41-28(22)20-10-12-24(26(15-20)37-5)42-32-31(40-8)30(39-7)29(38-6)27(43-32)18-34-2/h9-12,14-15,21-22,27-32H,13,16-18H2,1-8H3/t21-,22-,27+,28+,29+,30-,31+,32+/m0/s1
InChIKey DTQSEHYSTHGIJU-QFTIHXGBSA-N
Mol Weight 606.7 g/mol
Molecular Formula C32H46O11
Exact Mass 606.304012 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BXrIxEvVM4b
Name .beta.-D-Glucopyranoside, 2-methoxy-4-[(2S,3R,4R)-tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)-2-furanyl]phenyl, hexamethyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.304012290 u
Formula C32H46O11
InChI InChI=1S/C32H46O11/c1-33-17-22-21(13-19-9-11-23(35-3)25(14-19)36-4)16-41-28(22)20-10-12-24(26(15-20)37-5)42-32-31(40-8)30(39-7)29(38-6)27(43-32)18-34-2/h9-12,14-15,21-22,27-32H,13,16-18H2,1-8H3/t21-,22-,27+,28+,29+,30-,31+,32+/m0/s1
InChIKey DTQSEHYSTHGIJU-QFTIHXGBSA-N
Molecular Weight 606.709 g/mol
SMILES [C@@]1(OC2=C(C=C(C=C2)[C@]2(OC[C@@]([C@@]2(COC)[H])(CC2=CC(=C(C=C2)OC)OC)[H])[H])OC)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892406