For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,2S,3S,4R)-1-(1,3-Benzodioxol-5-yl)-2,3-di(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)butan-1,4-diol
SpectraBase Compound ID DdaRiUkOdQR
InChI InChI=1S/C22H28O9/c1-27-18-7-13(8-19(28-2)22(18)29-3)21(26)15(10-24)14(9-23)20(25)12-4-5-16-17(6-12)31-11-30-16/h4-8,14-15,20-21,23-26H,9-11H2,1-3H3/t14-,15-,20+,21+/m1/s1
InChIKey QOJZCHUMEVXEEA-RPQNVMPDSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HrUtUxrMSEt
Name (1R,2S,3S,4R)-1-(1,3-Benzodioxol-5-yl)-2,3-di(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)butan-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-27-18-7-13(8-19(28-2)22(18)29-3)21(26)15(10-24)14(9-23)20(25)12-4-5-16-17(6-12)31-11-30-16/h4-8,14-15,20-21,23-26H,9-11H2,1-3H3/t14-,15-,20+,21+/m1/s1
InChIKey QOJZCHUMEVXEEA-RPQNVMPDSA-N
Molecular Weight 436.457 g/mol
SMILES O[C@]([C@@]([C@@](CO)([C@](c1cc(OC)c(c(c1)OC)OC)(O)[H])[H])(CO)[H])(c1cc2OCOc2cc1)[H]
SPLASH splash10-0fxt-0920100000-44e3b3152d8014eb3b70
Source of Spectrum SO-0-520-12
Synonyms (1R,2S,3S,4R)-1-(1,3-benzodioxol-5-yl)-2,3-bis(hydroxymethyl)-4-(3,4,5-trimethoxyphenyl)-1,4-butanediol
Wiley ID 879073