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3-O-Demethylarctigenin

CAT: 0013-GTR19236960-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236960-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Standard reference.
CAS Number
147022-95-5
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C20H22O6
Molecular Weight
358.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3'-O-Demethylarctigenin
CAS Number147022-95-5
PubChem CID384870
IUPAC Name(3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Molecular FormulaC20H22O6
Molecular Weight358.4
XLogP3.3
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity469
SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC(=C(C=C3)O)O)OC
InChI
InChI=1S/C20H22O6/c1-24-18-6-4-12(10-19(18)25-2)7-14-11-26-20(23)15(14)8-13-3-5-16(21)17(22)9-13/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
InChIKey
FTDOXLKYCKOSHA-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of 3'-O-Demethylarctigenin
CAS: 147022-95-5
CID: 384870
Formula: C20H22O6
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass358.14163842
Monoisotopic Mass358.14163842
Topological Polar Surface Area85.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity469
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

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