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(+) -Schisandrin B

CAT: 0127-BUP24190-02Size: 5 mgDry Ice: NoHazardous: No
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CAS Number
82467-52-5
Synonyms
Isokadsuranin
MDL Number
MFCD00887634
Purity
≥98%
Smiles
O (C1=CC2=C (C (OC) =C1OC) C3=C (OC) C=4OCOC4C=C3CC (C) C (C) C2) C

Chemical Information

(+)-Schisandrin B

(+)-schisandrin B is an organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. It has a role as an antioxidant, an antilipemic drug, a hepatoprotective agent, a neuroprotective agent, an anti-asthmatic agent, an anti-inflammatory agent, an apoptosis inhibitor, a nephroprotective agent and a plant metabolite. It is an aromatic ether, an oxacycle, an organic heterotetracyclic compound and a cyclic acetal.

CAS Number82467-52-5
PubChem CID158103
IUPAC Name(9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene
Molecular FormulaC23H28O6
Molecular Weight400.5
XLogP5.1
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity543
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)OC)OC)OCO3
InChI
InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13+/m1/s1
InChIKey
RTZKSTLPRTWFEV-OLZOCXBDSA-N
Chemical Structure
2D Structure
2D structure of (+)-Schisandrin B
CAS: 82467-52-5
CID: 158103
Formula: C23H28O6
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass400.18858861
Monoisotopic Mass400.18858861
Topological Polar Surface Area55.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity543
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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