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Alpha-Costic acid

CAT: 0013-GTR19237134-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237134-01Size:50 mg
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Description
α-Costic acid, a plant sesquiterpene with acaricidal activity against Varroa destructor. Alpha-Costic acid is a potential biocide against two fungal strains, Penicillium roqueforti and Aspergillus niger. α-costic acid had a suppressive effect on the dodder seed germination but had a stimulating action on the broomrape seed germination.
CAS Number
28399-17-9
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C15H22O2
Molecular Weight
234.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(2R,4aR,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid

2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid has been reported in Marshallia obovata, Schistostephium crataegifolium, and other organisms with data available.

CAS Number28399-17-9
PubChem CID168796
IUPAC Name2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid
Molecular FormulaC15H22O2
Molecular Weight234.33
XLogP3.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity380
SMILES
CC1=CCC[C@]2([C@H]1C[C@@H](CC2)C(=C)C(=O)O)C
InChI
InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/t12-,13+,15-/m1/s1
InChIKey
UTXMCYDEIZPGME-VNHYZAJKSA-N
Chemical Structure
2D Structure
2D structure of (2R,4aR,8aR)-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-2-naphthaleneacetic acid
CAS: 28399-17-9
CID: 168796
Formula: C15H22O2
MW: 234.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.33
XLogP33.9
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
Complexity380
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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