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Carabrone

CAT: 0013-GTR19165476-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165476-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Carabrone is a bicyclic sesquiterpenic lactone of botanical origin with promising fungicidal activity. It effectively controls Gaeumannomyces tritici, the causative agent of take-all root rot in wheat, and is used in agricultural fungicide research.
CAS Number
1748-81-8
Product Name Alternative
Bacterial, Antifection, Carabrone, Inhibitor, inhibit
Field of Research
Infectious Disease & Virology
Purity
99.72% (May vary between batches)
Solubility
DMSO:60 mg/mL (241.62 mM) ; H2O:< 1 mg/mL (insoluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (20.14 mM)
Smiles
[H][C@@]12C[C@]3 ([H]) C (=C) C (=O) O[C@]3 ([H]) C[C@]1 (C) [C@H]2CCC (C) =O
Molecular Formula
C15H20O3
Molecular Weight
248.32
Storage Conditions
Keep away from moisture, keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

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

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