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Beta-Costic acid

CAT: 0931-TN3501Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3501Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3650-43-9
Target
Parasite, Others
Related Pathways
Microbiology/Virology, Others
Bioactivity
The use of costic acid and other components from the plant Dittrichia viscosa (Greek: aconiza) and related species for the preparation of acaricidal products used against the acari Varroa destructor as parasite of the honey bee.
Smiles
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O
Molecular Formula
C15H22O2
Molecular Weight
234.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Costic acid

Beta-Costic acid is a eudesmane sesquiterpenoid.

CAS Number3650-43-9
PubChem CID6451579
IUPAC Name2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP4.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity369
SMILES
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(=O)O
InChI
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1
InChIKey
UJQGVDNQDFTTLZ-VNHYZAJKSA-N
Chemical Structure
2D Structure
2D structure of Costic acid
CAS: 3650-43-9
CID: 6451579
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass234.161979940
Monoisotopic Mass234.161979940
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity369
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19181997Beta-Costic acid
HY-N3494γ-Costic acid
HY-N2927Costic acid
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GTR19237134-01Alpha-Costic acid
AR-C08367-01Alfa-Costic acid
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