2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
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![2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d0875dc8e84d4a658d032367daa763b5.png "2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid")
2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
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CAS No:
10473-42-4
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Formula:
C29H48O5
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Chemical Name:
2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
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Synonyms:
10473-42-4;NSC148878;{5-[4-(acetyloxy)-1-methyl-2-oxocyclohexyl]-7a-methyl-1-(6-methylheptan-2-yl)octahydro-1h-inden-4-yl}acetic acid;DTXSID60302113;5,6-Secocholestan-6-oic acid, 3.beta.-hydroxy-5-oxo-, acetate;5,6-Secocholestan-6-oic acid, 3-(acetyloxy)-5-oxo-, (3.beta.)-;5, 3.beta.-hydroxy-5-oxo-, acetate;NSC-148878;5, 3-(acetyloxy)-5-oxo-, (3.beta.)-;[5-[4-(Acetyloxy)-1-methyl-2-oxocyclohexyl]-1-(1,5-dimethylhexyl)-7a-methyloctahydro-1H-inden-4-yl]acetic acid #
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CAS No:
2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid Basic Attributes
476.7 g/mol
476.35017463 g/mol
148878
DTXSID60302113
Computed Properties
Molecular Weight:476.7
XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:476.35017463
Monoisotopic Mass:476.35017463
Topological Polar Surface Area:80.7
Heavy Atom Count:34
Complexity:760
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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