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Schisanlignone B

CAT: 0804-HY-N11947-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11947-01Size:1 mg
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Description
Schisanligone B is a lignan isolated from Schisandra chinensis seeds[1].
CAS Number
135459-86-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/schisanlignone-b.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC(O)=C(C(OC)=C2C3=C(C[C@H]([C@H]1C)C)C=C(OC)C(OC)=C3OC)OC
Molecular Formula
C23H28O7
Molecular Weight
416.46
References & Citations
[1]Liu J, et al. Isolation and structures of schisanlignone A, B and butyryl Binankadsurin A[J]. Acta Chimica Sinica, 1991, 49 (4) : 412.|[2]Liu J. et al. Isolation and structures of schisanlignone A, B and butyryl Binankadsurin A[J]. Acta Chimica Sinica, 1991, 49 (4) : 412.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Schisanlignone B
CAS Number135459-86-8
PubChem CID14827756
IUPAC Name(9R,10R)-5-hydroxy-3,4,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one
Molecular FormulaC23H28O7
Molecular Weight416.5
XLogP4.2
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity584
SMILES
C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)[C@@H]1C)O)OC)OC)OC)OC)OC
InChI
InChI=1S/C23H28O7/c1-11-8-13-9-16(26-3)21(28-5)22(29-6)17(13)18-14(19(25)12(11)2)10-15(24)20(27-4)23(18)30-7/h9-12,24H,8H2,1-7H3/t11-,12-/m1/s1
InChIKey
FLYXTLCSEZIBJX-VXGBXAGGSA-N
Chemical Structure
2D Structure
2D structure of Schisanlignone B
CAS: 135459-86-8
CID: 14827756
Formula: C23H28O7
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass416.18350323
Monoisotopic Mass416.18350323
Topological Polar Surface Area83.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity584
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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