[(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
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[(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
structure -
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CAS No:
60109-20-8
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Formula:
C17H22O4
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Chemical Name:
[(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate
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Synonyms:
CHEMBL2380792;60109-20-8;Acetylivalin;Ivalin, acetate;DTXSID50975532;BDBM50433445;8a-Methyl-3,5-dimethylidene-2-oxododecahydronaphtho[2,3-b]furan-7-yl acetate;(3aalpha,4aalpha,9aalpha)-3,5-Bismethylene-7alpha-acetoxy-8abeta-methyldecahydronaphtho[2,3-b]furan-2(3H)-one
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CAS No:
[(3aR,4aS,7S,8aR,9aR)-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-7-yl] acetate Basic Attributes
290.4 g/mol
290.15180918 g/mol
Computed Properties
Molecular Weight:290.4
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:290.15180918
Monoisotopic Mass:290.15180918
Topological Polar Surface Area:52.6
Heavy Atom Count:21
Complexity:535
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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