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(2R,3R)-2-vanillyl-3-veratryl-butane-1,4-diol

View entire compound with spectra: 2 MS (GC)

(2R,3R)-2-vanillyl-3-veratryl-butane-1,4-diol
SpectraBase Compound ID 6k5V59LCb10
InChI InChI=1S/C21H28O6/c1-25-19-7-5-15(11-21(19)27-3)9-17(13-23)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h4-7,10-11,16-17,22-24H,8-9,12-13H2,1-3H3/t16-,17-/m0/s1
InChIKey QOOLUDONRDSQAX-IRXDYDNUSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ho5pLItAYS
Name (2R,3R)-2-vanillyl-3-veratryl-butane-1,4-diol
Alternate Name(s) (2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol (2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]butane-1,4-diol
CAS Registry Number 73354-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-25-19-7-5-15(11-21(19)27-3)9-17(13-23)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h4-7,10-11,16-17,22-24H,8-9,12-13H2,1-3H3/t16-,17-/m0/s1
InChIKey QOOLUDONRDSQAX-IRXDYDNUSA-N
Molecular Weight 376.449 g/mol
SMILES OC[C@@]([C@](CO)(Cc1cc(c(cc1)O)OC)[H])(Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0udr-0902000000-9b1da17a7b1c79ffe659
Source of Spectrum E1-39-92-12
Wiley ID 1598635