[(5R,6R,9R,10R)-9-hydroxy-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)-12-oxatricyclo[7.2.1.01,6]dodecan-5-yl] acetate
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[(5R,6R,9R,10R)-9-hydroxy-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)-12-oxatricyclo[7.2.1.01,6]dodecan-5-yl] acetate
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CAS No:
103772-45-8
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Formula:
C22H34O5
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Chemical Name:
[(5R,6R,9R,10R)-9-hydroxy-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)-12-oxatricyclo[7.2.1.01,6]dodecan-5-yl] acetate
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Synonyms:
Isolinearol acetate;103772-45-8;DTXSID50908582;(1R,6R,7R,9aR)-7-Hydroxy-6,9a-dimethyl-4-methylidene-6-(4-methyl-3-oxopentyl)decahydro-4a,7-epoxybenzo(7)annulen-1-yl acetate;7-Hydroxy-6,9a-dimethyl-4-methylidene-6-(4-methyl-3-oxopentyl)decahydro-4a,7-epoxybenzo[7]annulen-1-yl acetate
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CAS No:
[(5R,6R,9R,10R)-9-hydroxy-6,10-dimethyl-2-methylidene-10-(4-methyl-3-oxopentyl)-12-oxatricyclo[7.2.1.01,6]dodecan-5-yl] acetate Basic Attributes
378.5 g/mol
378.24062418 g/mol
Computed Properties
Molecular Weight:378.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:378.24062418
Monoisotopic Mass:378.24062418
Topological Polar Surface Area:72.8
Heavy Atom Count:27
Complexity:670
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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