Magnolianin

For Research Use Only.
Category
Lignans
Cat.No.
NP4213
CAS
147663-91-0
Product Name
Magnolianin
Structure

Product Details

Description
Magnolianin is isolated from the bark of Magnolia obovata.
Synonyms
1,2-Benzenediol, 5-[(2R,3R)-2,3-dihydro-3-[[(2'-hydroxy-5,5'-di-2-propen-1-yl[1,1'-biphenyl]-2-yl)oxy]methyl]-7-(2-propen-1-yl)-5-[4-(2-propen-1-yl)phenoxy]-1,4-benzodioxin-2-yl]-3-[4-(2-propen-1-yl)phenoxy]-, rel-
IUPAC Name
5-[(2S,3S)-3-[[2-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenoxy]methyl]-7-prop-2-enyl-5-(4-prop-2-enylphenoxy)-2,3-dihydro-1,4-benzodioxin-2-yl]-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
Molecular Weight
827.00
Molecular Formula
C54H50O8
Canonical SMILES
C=CCC1=CC=C(C=C1)OC2=CC(=CC3=C2OC(C(O3)C4=CC(=C(C(=C4)OC5=CC=C(C=C5)CC=C)O)O)COC6=C(C=C(C=C6)CC=C)C7=C(C=CC(=C7)CC=C)O)CC=C
InChI
InChI=1S/C54H50O8/c1-6-11-35-16-22-41(23-17-35)59-48-33-40(32-46(56)52(48)57)53-51(34-58-47-27-21-38(14-9-4)29-44(47)43-28-37(13-8-3)20-26-45(43)55)62-54-49(30-39(15-10-5)31-50(54)61-53)60-42-24-18-36(12-7-2)19-25-42/h6-10,16-33,51,53,55-57H,1-5,11-15,34H2/t51-,53-/m0/s1
InChIKey
CEXVGDLGKOJDMY-XXWZEBKPSA-N
Purity
> 95%
Density
1.188±0.06 g/cm3 (Predicted)
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