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Carabrone

CAT: 1410-M29055-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M29055-04Size:25 mg
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Description
Carabrone, a botanical bicyclic sesquiterpenic lactone, is a promising fungicidal agent that can effectively control G. tritici.
CAS Number
1748-81-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
248.322
Molecular Formula
C15H20O3
Notes
Research use only, not for human use.
Receptor
Antibacterial

Chemical Information

Carabron

Carabrone has been reported in Hymenoxys integrifolia, Inula grandis, and other organisms with data available.

CAS Number1748-81-8
PubChem CID164879
IUPAC Name(3aR,4aS,5S,5aR,6aR)-5a-methyl-3-methylidene-5-(3-oxobutyl)-3a,4,4a,5,6,6a-hexahydrocyclopropa[f][1]benzofuran-2-one
Molecular FormulaC15H20O3
Molecular Weight248.32
XLogP2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity439
SMILES
CC(=O)CC[C@H]1[C@H]2[C@@]1(C[C@@H]3[C@H](C2)C(=C)C(=O)O3)C
InChI
InChI=1S/C15H20O3/c1-8(16)4-5-11-12-6-10-9(2)14(17)18-13(10)7-15(11,12)3/h10-13H,2,4-7H2,1,3H3/t10-,11+,12+,13-,15-/m1/s1
InChIKey
AGIQIKMGJVLKMA-NLRWUALESA-N
Chemical Structure
2D Structure
2D structure of Carabron
CAS: 1748-81-8
CID: 164879
Formula: C15H20O3
MW: 248.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.32
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass248.14124450
Monoisotopic Mass248.14124450
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1480-5Carabrone

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