Carabrone
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Carabrone
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CAS No:
1748-81-8
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Formula:
C15H20O3
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Chemical Name:
Carabrone
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Synonyms:
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;(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;Carabron;Grandicin
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CAS No:
Description
Carabrone is isolated from the fruits of Carpesium abrotanoides , is a well-known sesquiterpene and exhibits significant anti-bacterial and anti-tumor activities[1].Carabrone exhibits antifungal activities in vitro and in vivo against Botrytis cinerea, Colletotrichum lagenarium(EC50=7.10 μg/mL) and Erysiphe graminis[2].
Characteristics
43.4
1.40
1.1±0.1 g/cm3
89 - 90 °C
397.4±15.0 °C at 760 mmHg
176.5±20.4 °C
1.525
1.6E-06mmHg at 25°C
Computed Properties
Molecular Weight:248.32
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.14124450
Monoisotopic Mass:248.14124450
Topological Polar Surface Area:43.4
Heavy Atom Count:18
Complexity:439
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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