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Arctigenin

CAT: 0127-BUP00018-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00018-03Size:100 mg
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CAS Number
7770-78-7
Synonyms
(-) -Arctigenin
Purity
=95%
Smiles
C([C@@H]1[C@@H](CC2=CC(OC)=C(OC)C=C2)COC1=O)C3=CC(OC)=C(O)C=C3

Chemical Information

(-)-Arctigenin

(-)-Arctigenin is a lignan.

CAS Number7770-78-7
PubChem CID64981
IUPAC Name(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Molecular FormulaC21H24O6
Molecular Weight372.4
XLogP3.6
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity483
SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)OC)OC
InChI
InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
InChIKey
NQWVSMVXKMHKTF-JKSUJKDBSA-N
Chemical Structure
2D Structure
2D structure of (-)-Arctigenin
CAS: 7770-78-7
CID: 64981
Formula: C21H24O6
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass372.15728848
Monoisotopic Mass372.15728848
Topological Polar Surface Area74.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N0035-01Arctigenin
260358-01(-) -Arctigenin
B2786-50(-)-Arctigenin

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