1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid
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![1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0bf1a8267bcb48aba315791392db06be.png "1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid")
1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid
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CAS No:
32174-69-9
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Formula:
C27H40O4
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Chemical Name:
1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid
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Synonyms:
32174-69-9;BRN 3177998;NSC81762;3a,6-dimethyl-3-(6-methylheptan-2-yl)-9,11-dioxo-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-1h-6,10-methanocycloocta[e]indene-7-carboxylic acid;4-10-00-03174 (Beilstein Handbook Reference);6,10-Methano-1H-cyclooct(e)indene-7-carboxylic acid, 3-(1,5-dimethylhexyl)-2,3,3a,4,5,5a,6,9,10,11,11a,11b-dodecahydro-3a,6-dimethyl-9,11-dioxo-;DTXSID40954038;NSC-81762
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CAS No:
1,5-dimethyl-6-(6-methylheptan-2-yl)-11,13-dioxotetracyclo[10.3.1.02,10.05,9]hexadec-14-ene-15-carboxylic acid Basic Attributes
428.6 g/mol
428.29265975 g/mol
81762
Computed Properties
Molecular Weight:428.6
XLogP3:7.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:428.29265975
Monoisotopic Mass:428.29265975
Topological Polar Surface Area:71.4
Heavy Atom Count:31
Complexity:810
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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