3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one
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3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one
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CAS No:
22748-58-9
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Formula:
C21H36O5
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Chemical Name:
3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one
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Synonyms:
2-Cyclopenten-1-one,3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-;2-Cyclopenten-1-one,3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-isopentyl-2-isovaleryl-;3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one;Hexahydroisohumulone (isobutyl isomer);Hexahydroisohumulone
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CAS No:
3,4-Dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)-2-cyclopenten-1-one Basic Attributes
368.50800
368.51
245-195-5
Computed Properties
Molecular Weight:368.5
XLogP3:4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:368.25627424
Monoisotopic Mass:368.25627424
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:547
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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