| Identification | Back Directory | [Name]
Carabrone | [CAS]
1748-81-8 | [Synonyms]
Carabron
Grandicin
Carabrone
Octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-2H-cyclopropa[f]benzofuran-2-one
(3aR,4aα,6aα)-Octahydro-5aα-methyl-3-methylene-5α-(3-oxobutyl)-2H-cyclopropa[f]benzofuran-2-one
2H-Cyclopropa[f]benzofuran-2-one, octahydro-5a-methyl-3-methylene-5-(3-oxobutyl)-, (3aR,4aS,5S,5aR,6aR)-
(3aR,4aS,5S,5aR,6aR)-5-(3-ketobutyl)-5a-methyl-3-methylene-3a,4,4a,5,6,6a-hexahydrocyclopropa[f]benzofuran-2-one
(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 Formula]
C15H20O3 | [MDL Number]
MFCD21333275 | [MOL File]
1748-81-8.mol | [Molecular Weight]
248.32 |
| Chemical Properties | Back Directory | [Melting point ]
90-91 °C | [Boiling point ]
397.369±15.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.139±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Cryst. | [color ]
White to off-white | [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 | [SMILES]
O1[C@]2([H])C[C@]3(C)[C@@H](CCC(=O)C)[C@]3([H])C[C@]2([H])C(=C)C1=O |
| Hazard Information | Back Directory | [Uses]
Carabron is a botanical bicyclic sesquiterpenic lactone with broad-spectrum antifungal activity against the devastating phytopathogen Gaeumannomyces graminis var. tritici. A potential antifungal agent. | [target]
Antifection |
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