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Tetrahydromagnolol

CAT: 0607-C5552-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C5552-25Size:25 mg
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Description
Peripheral CB2 receptor agonist
CAS Number
20601-85-8
Product Name Alternative
5,5'-dipropyl-[1,1'-biphenyl]-2,2'-diol
Synonyms
Magnolignan
Purity
0.98
Solubility
≤20mg/ml in ethanol;16mg/ml in DMSO;20mg/ml in dimethyl formamide
Smiles
CCCc (cc1) cc (-c (cc (CCC) cc2) c2O) c1O
Molecular Formula
C18H22O2
Molecular Weight
270.4
Storage Conditions
Store at -20°C
Physical Properties
A crystalline solid

Chemical Information

Magnolignan

Magnolignan C has been reported in Magnolia obovata with data available.

CAS Number20601-85-8
PubChem CID5319203
IUPAC Name3-[4-hydroxy-3-(4-hydroxy-3-prop-2-enylphenyl)phenyl]propane-1,2-diol
Molecular FormulaC18H20O4
Molecular Weight300.3
XLogP2.9
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)CC(CO)O)O)O
InChI
InChI=1S/C18H20O4/c1-2-3-14-10-13(5-7-17(14)21)16-9-12(4-6-18(16)22)8-15(20)11-19/h2,4-7,9-10,15,19-22H,1,3,8,11H2
InChIKey
LHJCLTLPXXKFTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Magnolignan
CAS: 20601-85-8
CID: 5319203
Formula: C18H20O4
MW: 300.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.3
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass300.13615911
Monoisotopic Mass300.13615911
Topological Polar Surface Area80.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN2268-01Tetrahydromagnolol

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