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Mexoticin

CAT: 1410-M21809-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M21809-02Size:5 mg
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Description
Mexoticin, a naturally occurring coumarin, can be isolated from the leaves of Murraya omphalocarpa.
CAS Number
18196-00-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
308.33
Molecular Formula
C₁₆H₂₀O₆
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Mexoticin

8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one has been reported in Murraya alata, Murraya paniculata, and other organisms with data available.

CAS Number18196-00-4
PubChem CID176970
IUPAC Name8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
Molecular FormulaC16H20O6
Molecular Weight308.33
XLogP1.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity432
SMILES
CC(C)([C@@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O
InChI
InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3/t13-/m1/s1
InChIKey
JVCJUTNJQMKKCK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Mexoticin
CAS: 18196-00-4
CID: 176970
Formula: C16H20O6
MW: 308.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.33
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass308.12598835
Monoisotopic Mass308.12598835
Topological Polar Surface Area85.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
XM163794Mexoticin

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