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Pinoresinol dimethyl ether

CAT: 0957-S9436Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-S9436Size:1 mg
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Description
Pinoresinol dimethyl ether, which could be isolated from the wood of the basal tree Humbertieae, show a variety of activities as the inhibitor of cyclic AMP phosphodiesterase.
CAS Number
29106-36-3
Target
PDE
Activity
Metabolism
Molecular Formula
C22H26O6
Storage Conditions
3 years -20°C powder

Chemical Information

(+)-Eudesmin

(+)-Eudesmin is a lignan.

CAS Number29106-36-3
PubChem CID73117
IUPAC Name(3S,3aR,6S,6aR)-3,6-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
Molecular FormulaC22H26O6
Molecular Weight386.4
XLogP2.9
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity457
SMILES
COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21+,22+/m0/s1
InChIKey
PEUUVVGQIVMSAW-RZTYQLBFSA-N
Chemical Structure
2D Structure
2D structure of (+)-Eudesmin
CAS: 29106-36-3
CID: 73117
Formula: C22H26O6
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass386.17293854
Monoisotopic Mass386.17293854
Topological Polar Surface Area55.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes