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3,4,5'-Trimethoxy-2'-hydroxy-3'-oxo-.delta(1,3,5,4',8').-8.1',7.o.2-neolignan
SpectraBase Compound ID LGb3w4R2Lm6
InChI InChI=1S/C21H26O6/c1-6-9-20-12-15(24-3)11-18(22)21(20,23)27-19(13(20)2)14-7-8-16(25-4)17(10-14)26-5/h6-8,10-11,13,19,23H,1,9,12H2,2-5H3/t13-,19?,20-,21-/m1/s1
InChIKey WDERDAQJSUNRKK-IUXNHQQSSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FC5CrELlb4
Name 3,4,5'-Trimethoxy-2'-hydroxy-3'-oxo-.delta(1,3,5,4',8').-8.1',7.o.2-neolignan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-6-9-20-12-15(24-3)11-18(22)21(20,23)27-19(13(20)2)14-7-8-16(25-4)17(10-14)26-5/h6-8,10-11,13,19,23H,1,9,12H2,2-5H3/t13-,19?,20-,21-/m1/s1
InChIKey WDERDAQJSUNRKK-IUXNHQQSSA-N
Molecular Weight 374.433 g/mol
SMILES O[C@]12[C@@]([C@](C)(C(O2)c2cc(OC)c(cc2)OC)[H])(CC(=CC1=O)OC)CC=C
SPLASH splash10-014i-1900000000-0a519d62584a65320535
Source of Spectrum D9-20-858-2f
Wiley ID 1695532