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Schisantherin E

CAT: 0013-GTR19189117-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189117-02Size:5 mg
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Description
Schisantherin E is a bioactive lignan isolated from Schisandra chinensis. It has demonstrated antioxidant, hepatoprotective, and anti-inflammatory activities in research studies, supporting its investigation in areas such as hepatology and inflammation using both in vitro and in vivo experimental models.
CAS Number
64917-83-5
Product Name Alternative
Schizantherin-E, Schisantherin E
Field of Research
Immunology & Inflammation
Purity
99.91% (May vary between batches)
Smiles
O=C (OC1C2=CC (OC) =C (OC) C (OC) =C2C=3C (OC) =C (OC) C (O) =CC3CC (C) C1 (O) C) C=4C=CC=CC4
Molecular Formula
C30H34O9
Molecular Weight
538.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Schisantherin E

Schisantherin E has been reported in Schisandra sphenanthera and Schisandra rubriflora with data available.

CAS Number64917-83-5
PubChem CID13844274
IUPAC Name[(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
Molecular FormulaC30H34O9
Molecular Weight538.6
XLogP4.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity803
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C4=CC=CC=C4)OC)OC)OC)OC)OC)O
InChI
InChI=1S/C30H34O9/c1-16-13-18-14-20(31)24(35-4)26(37-6)22(18)23-19(15-21(34-3)25(36-5)27(23)38-7)28(30(16,2)33)39-29(32)17-11-9-8-10-12-17/h8-12,14-16,28,31,33H,13H2,1-7H3/t16-,28-,30-/m0/s1
InChIKey
ZNXDFTKQSCEJGE-DSASHONVSA-N
Chemical Structure
2D Structure
2D structure of Schisantherin E
CAS: 64917-83-5
CID: 13844274
Formula: C30H34O9
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass538.22028266
Monoisotopic Mass538.22028266
Topological Polar Surface Area113 Ų
Heavy Atom Count39
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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