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Schisanwilsonin B

CAT: 0804-HY-N5044-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N5044-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1181216-84-1
UNSPSC Description
Schisanwilsonin B is a lignan from the fruits of Schisandra wilsoniana[1].
Target Antigen
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/schisanwilsonin-b.html
Solubility
10 mM in DMSO
Smiles
C/C=C(C(O[C@H]1C2=CC(OC)=C(OC)C(OC)=C2C3=C(OC)C4=C(OCO4)C=C3C[C@H](C)[C@]1(O)C)=O)\C
Molecular Weight
514.56
References & Citations
[1]Ma WH, Lu Y, Huang H, Zhou P, Chen DF. Schisanwilsonins A-G and related anti-HBV lignans from the fruits of Schisandra wilsoniana. Bioorg Med Chem Lett. 2009;19(17):4958-4962.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Schisanwilsonin I

See also: Tigloylgomisin P (annotation moved to).

CAS Number1181216-84-1
PubChem CID21668973
IUPAC Name[(8S,9R,10S)-9-hydroxy-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)-hexaen-8-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC28H34O9
Molecular Weight514.6
XLogP4.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity832
SMILES
C/C=C(\C)/C(=O)O[C@H]1C2=CC(=C(C(=C2C3=C(C4=C(C=C3C[C@@H]([C@@]1(C)O)C)OCO4)OC)OC)OC)OC
InChI
InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9+/t15-,26-,28+/m0/s1
InChIKey
BKGUPIVDQHHVMV-OUJBPAAASA-N
Chemical Structure
2D Structure
2D structure of Schisanwilsonin I
CAS: 1181216-84-1
CID: 21668973
Formula: C28H34O9
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass514.22028266
Monoisotopic Mass514.22028266
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity832
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FS74438-01Schisanwilsonin H
FS74437-01Schisanwilsonin I
TN2188Schisanwilsonin B
GTR19277920-01Schisanwilsonin K
TN2187Schisanwilsonin C
371952Schisanwilsonin H discontinued
371953Schisanwilsonin I discontinued. See 300932

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