2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one
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![2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1a71dafe7b4940d49d51c91288e17d9c.png "2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one")
2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one
structure -
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CAS No:
96624-40-7
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Formula:
C31H34O8
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Chemical Name:
2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one
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Synonyms:
2,5-Cyclohexadien-1-one,2-[[3-benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-;2,5-Cyclohexadien-1-one,2-[[3-benzoyl-2,6-dihydroxy-4-[(3-methyl-2-butenyl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-;2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one;Sarothralin;Japonicin C;NSC 606405
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CAS No:
2-[[3-Benzoyl-2,6-dihydroxy-4-[(3-methyl-2-buten-1-yl)oxy]phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(2-methyl-1-oxopropyl)-2,5-cyclohexadien-1-one Basic Attributes
534.6 g/mol
534.60
606405
DTXSID40326630
Computed Properties
Molecular Weight:534.6
XLogP3:6.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:534.22536804
Monoisotopic Mass:534.22536804
Topological Polar Surface Area:141
Heavy Atom Count:39
Complexity:1050
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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