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Secoisolariciresinol
SpectraBase Compound ID 65QS9ebxN9n
InChI InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3
InChIKey PUETUDUXMCLALY-UHFFFAOYSA-N
Mol Weight 362.42 g/mol
Molecular Formula C20H26O6
Exact Mass 362.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gJan3QrzDK
Name 1,4-Butanediol, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, [R-(R*,R*)]-
CAS Registry Number 29388-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O6
InChI InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3
InChIKey PUETUDUXMCLALY-UHFFFAOYSA-N
Molecular Weight 362.422 g/mol
SMILES Oc1ccc(CC(C(CO)Cc2ccc(c(c2)OC)O)CO)cc1OC
SPLASH splash10-000i-1901000000-caff1055156af18093a3
Source of Spectrum B-38-1641-26
Synonyms Secoisolariciresinol (r-(R*,R*))-2,3-bis((4-hydroxy-3-methoxyphenyl)methyl)butane-1,4-diol 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol 2,3-Bis(4-hydroxy-3-methoxybenzyl)-1,4-butanediol 2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol 2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]butane-1,4-diol 2,3-Divanillylbutane-1,4-diol CCRIS 7790 EINECS 249-599-2
Wiley ID 1349585