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Guaiacin;rel-(8R,7'S,8'S)-4,4'-dihydroxy-3,3'-dimethoxy-delta(1,3,5,1',3',5')-8.8',6.7'-neolignan

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Guaiacin;rel-(8R,7'S,8'S)-4,4'-dihydroxy-3,3'-dimethoxy-delta(1,3,5,1',3',5')-8.8',6.7'-neolignan
SpectraBase Compound ID 6AwHwWcCoEM
InChI InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1
InChIKey TZAAYUCUPIYQBR-JGRMJRGVSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7BDcV4TwA7
Name Guaiacin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-11-7-14-9-19(24-4)17(22)10-15(14)20(12(11)2)13-5-6-16(21)18(8-13)23-3/h5-6,8-12,20-22H,7H2,1-4H3/t11-,12+,20+/m1/s1
InChIKey TZAAYUCUPIYQBR-JGRMJRGVSA-N
Molecular Weight 328.408 g/mol
SMILES Oc1c(cc([C@]2(c3cc(c(cc3C[C@]([C@@]2(C)[H])(C)[H])OC)O)[H])cc1)OC
SPLASH splash10-004l-0398000000-19ac9e8bdf6ec5f7ea8b
Source of Spectrum D9-20-1115-1
Synonyms (6R,7S,8S)-8-(4-Hydroxy-3-methoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol (6R,7S,8S)-3-methoxy-8-(3-methoxy-4-oxidanyl-phenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
Wiley ID 1695463