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Home > Encyclopedia > [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate

[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate

[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate structure

[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate 

structure
  • CAS No:

    56064-70-1

  • Formula:

    C17H22O5

  • Chemical Name:

    [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate

  • Synonyms:

    56064-70-1;alpha-Liriodenolide;DTXSID40971442;6-Hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,5a,6,7,9a,9b-decahydronaphtho[1,2-b]furan-4-yl acetate;Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,5a,6,7,9a,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aR-(3aalpha,4beta,5abeta,6beta,9aalpha,9bbeta))-

[(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate Basic Attributes

306.4 g/mol

306.14672380 g/mol

Characteristics

72.8 Ų

Computed Properties

Molecular Weight:306.4
XLogP3:1.6
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

Guide of [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] acetate

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