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THREO-MAGNOLIGNAN_C
SpectraBase Compound ID DUrAwvJL4b9
InChI InChI=1S/C18H20O5/c1-2-3-11-4-6-15(20)13(8-11)14-9-12(5-7-16(14)21)18(23)17(22)10-19/h2,4-9,17-23H,1,3,10H2/t17-,18-/m0/s1
InChIKey BVHBMPTTZTZCCL-ROUUACIJSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VjmVYmzqt0
Name (threo)- 1-(1",2",3"-Trihydroxypropyl)-1'-(.beta.-propenyl)-4,4'-dihydroxy-3,3'-biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-2-3-11-4-6-15(20)13(8-11)14-9-12(5-7-16(14)21)18(23)17(22)10-19/h2,4-9,17-23H,1,3,10H2/t17-,18-/m0/s1
InChIKey BVHBMPTTZTZCCL-ROUUACIJSA-N
Molecular Weight 316.353 g/mol
SMILES Oc1c(-c2cc([C@@]([C@@](O)(CO)[H])(O)[H])ccc2O)cc(cc1)CC=C
SPLASH splash10-052r-0090000000-caae72876ee5fb078051
Source of Spectrum G4-72-170-8b
Synonyms (threo)-magnolignan B
Wiley ID 1702096