4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
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![4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7ed5cb7ffa8e4eb7aa6560ece24f011e.png "4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one")
4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
structure -
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CAS No:
3772-67-6
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Formula:
C25H32O8
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Chemical Name:
4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
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Synonyms:
cyclo-(Pro(1)-Pro(2)-Leu(2)-Leu(1)-Phe(2)-Pro(3)-Gly-Ser-Phe(1));japonicin A;JAPONICIN A;NSC611465;NSC-611465;3772-67-6
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CAS No:
4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one Basic Attributes
460.5 g/mol
460.20971797 g/mol
611465
Computed Properties
Molecular Weight:460.5
XLogP3:3.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:460.20971797
Monoisotopic Mass:460.20971797
Topological Polar Surface Area:149
Heavy Atom Count:33
Complexity:1000
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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