Colupulone
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Colupulone
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CAS No:
468-27-9
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Formula:
C25H36O4
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Chemical Name:
Colupulone
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Synonyms:
2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxopropyl)-;2,4-Cyclohexadien-1-one,3,5-dihydroxy-4-isobutyryl-2,6,6-tris(3-methyl-2-butenyl)-;2,4-Cyclohexadien-1-one,3,5-dihydroxy-2,6,6-tris(3-methyl-2-butenyl)-4-(2-methyl-1-oxopropyl)-;3,5-Dihydroxy-2,6,6-tris(3-methyl-2-buten-1-yl)-4-(2-methyl-1-oxopropyl)-2,4-cyclohexadien-1-one;Colupulone;NSC 650561
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CAS No:
Description
Colupulone is a beta-bitter acid in which the acyl group is specified as isobutanoyl. It is a conjugate acid of a colupulone(1-).
Computed Properties
Molecular Weight:400.5
XLogP3:6.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:400.26135963
Monoisotopic Mass:400.26135963
Topological Polar Surface Area:74.6
Heavy Atom Count:29
Complexity:797
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes