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Schisandrathera D

CAT: 0013-GTR19219270-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219270-02Size:50 mg
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Description
Schisandrathera D is a bioactive lignan isolated from Schisandra sphenanthera. It demonstrates hepatoprotective properties, making it a candidate for research in liver disease models, including studies on drug-induced hepatotoxicity in both cellular and animal systems.
CAS Number
2694046-04-1
Smiles
C ([C@H] ([C@H] (CC1=CC (OC) =C (OC) C (O) =C1) C) C) C2=CC (OC) =C (OC) C (OC) =C2
Molecular Formula
C23H32O6
Molecular Weight
404.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Schisandrathera D
CAS Number2694046-04-1
PubChem CID154723679
IUPAC Name5-[(2S,3R)-2,3-dimethyl-4-(3,4,5-trimethoxyphenyl)butyl]-2,3-dimethoxyphenol
Molecular FormulaC23H32O6
Molecular Weight404.5
XLogP5.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity447
SMILES
C[C@@H](CC1=CC(=C(C(=C1)OC)OC)O)[C@H](C)CC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C23H32O6/c1-14(8-16-10-18(24)22(28-6)19(11-16)25-3)15(2)9-17-12-20(26-4)23(29-7)21(13-17)27-5/h10-15,24H,8-9H2,1-7H3/t14-,15+/m0/s1
InChIKey
KLMINEPDYIKLAR-LSDHHAIUSA-N
Chemical Structure
2D Structure
2D structure of Schisandrathera D
CAS: 2694046-04-1
CID: 154723679
Formula: C23H32O6
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass404.21988874
Monoisotopic Mass404.21988874
Topological Polar Surface Area66.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity447
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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