Isoadhumulone
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Isoadhumulone
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CAS No:
25422-83-7
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Formula:
C21H30O5
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Chemical Name:
Isoadhumulone
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Synonyms:
2-Cyclopenten-1-one,3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-;Isoadhumulone;3-Penten-1-one,1-[1,2-dihydroxy-5-(3-methyl-2-butenyl)-3-(2-methylbutyryl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-;2-Cyclopenten-1-one,3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-;3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-penten-1-yl)-2-cyclopenten-1-one;17812-71-4;61617-62-7
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CAS No:
Computed Properties
Molecular Weight:362.5
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:362.20932405
Monoisotopic Mass:362.20932405
Topological Polar Surface Area:91.7
Heavy Atom Count:26
Complexity:687
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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