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MAGNOVATIN_B;REL-(7-S,8-R,8'-R)-3,4-METHYLENEDIOXY-3',4'-DIMETHOXY-LIGNAN-7-OL
SpectraBase Compound ID EgLscQZkki8
InChI InChI=1S/C21H26O5/c1-13(9-15-5-7-17(23-3)19(10-15)24-4)14(2)21(22)16-6-8-18-20(11-16)26-12-25-18/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3/t13-,14-,21+/m1/s1
InChIKey NJZFDQRQCKAWQT-LKBUQDJMSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 77SHfAQVLKs
Name (7S,8R,8'R)-3,4 -(Methylenedioxy)-3',4'-dimethoxy-lignan-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(9-15-5-7-17(23-3)19(10-15)24-4)14(2)21(22)16-6-8-18-20(11-16)26-12-25-18/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3/t13-,14-,21+/m1/s1
InChIKey NJZFDQRQCKAWQT-LKBUQDJMSA-N
Molecular Weight 358.434 g/mol
SMILES O[C@](c1cc2c(OCO2)cc1)([C@@]([C@@](Cc1cc(OC)c(cc1)OC)(C)[H])(C)[H])[H]
SPLASH splash10-0udi-1901000000-5b5c48b99765d752c958
Source of Spectrum G4-72-1531-2
Synonyms Magnovatin B (1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethyl-1-butanol (1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol
Wiley ID 1702206