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Breviscapin

CAT: 1410-M17848-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17848-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Breviscapine is the total flavonoid components (the content of scutellarin > or =85%) extracted from the dried whole plant of Erigeron breviscapus.
CAS Number
116122-36-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
908.72
Molecular Formula
C21H18O11
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Breviscapine

Breviscapine has been reported in Chamaemespilus alpina, Scutellaria lateriflora, and Aria edulis with data available.

CAS Number116122-36-2
PubChem CID6426802
IUPAC Name6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC21H18O12
Molecular Weight462.4
XLogP0.8
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity777
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O
InChI
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)
InChIKey
DJSISFGPUUYILV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Breviscapine
CAS: 116122-36-2
CID: 6426802
Formula: C21H18O12
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP30.8
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass462.07982601
Monoisotopic Mass462.07982601
Topological Polar Surface Area203 Ų
Heavy Atom Count33
Formal Charge0
Complexity777
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3607842-01Breviscapin

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