[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
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[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
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CAS No:
20482-33-1
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Formula:
C17H22O5
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Chemical Name:
[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
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Synonyms:
cumambrin A;20482-33-1;CHEMBL190755;DTXSID80174450;ZINC4027543;[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate;Azuleno(4,5-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,6,6a,7,9a,9b-octahydro-6-hydroxy-6,9-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,6alpha,6aalpha,9aalpha,9bbeta))-
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CAS No:
[(3aR,4S,6R,6aR,9aR,9bR)-6-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate Basic Attributes
306.4 g/mol
306.14672380 g/mol
DTXSID80174450
Computed Properties
Molecular Weight:306.4
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:306.14672380
Monoisotopic Mass:306.14672380
Topological Polar Surface Area:72.8
Heavy Atom Count:22
Complexity:578
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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