[6-methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate
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[6-methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate
structure -
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CAS No:
37163-91-0
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Formula:
C17H22O5
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Chemical Name:
[6-methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate
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Synonyms:
IVALBATIN ACETATE;NSC290136;37163-91-0;Ivalbin acetate;CHEMBL1997467;DTXSID10958366;6-Methyl-3-methylene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate;NSC-290136;NCI60_002382;[6-methyl-3-methylene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate;6-Methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-5-yl acetate
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CAS No:
[6-methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate Basic Attributes
306.4 g/mol
306.14672380 g/mol
290136
Computed Properties
Molecular Weight:306.4
XLogP3:1.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:306.14672380
Monoisotopic Mass:306.14672380
Topological Polar Surface Area:69.7
Heavy Atom Count:22
Complexity:545
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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