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 |