5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid
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![5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/377434f9585547e6996c5c2bf776918b.png "5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid")
5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid
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CAS No:
152613-17-7
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Formula:
C23H32O6
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Chemical Name:
5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid
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Synonyms:
phellodonic acid;Phellodonic acid;152613-17-7;DTXSID00934558;3a,5-Dimethyl-3-methylidene-4-(octanoyloxy)-2-oxodecahydrocyclopenta[4,5]pentaleno[1,6a-b]oxirene-5-carboxylic acid;Cyclopenta(4,5)pentaleno(1,6a-b)oxirene-5-carboxylic acid, decahydro-3a,5-dimethyl-3-methylene-2-oxo-4-((1-oxooctyl)oxy)-, (1aS-(1aalpha,3abeta,3balpha,4alpha,5beta,6aalpha,7aR*))-
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CAS No:
5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid Basic Attributes
404.5 g/mol
404.21988874 g/mol
Computed Properties
Molecular Weight:404.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:404.21988874
Monoisotopic Mass:404.21988874
Topological Polar Surface Area:93.2
Heavy Atom Count:29
Complexity:773
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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