4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid
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![4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a0ff95ce8c2c46ed8eaeda5213a4ab14.png "4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid")
4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid
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CAS No:
156908-81-5
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Formula:
C31H52O3
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Chemical Name:
4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid
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Synonyms:
4-(cholesteryloxy)butyric acid;gamma-(cholesteryloxy)butyric acid;gamma-CBA;156908-81-5;gamma-Cba;4-(Cholesteryloxy)butyric acid;gamma-(Cholesteryloxy)butyric acid;4-(((3beta)-cholest-5-en-3-yl)oxy)butanoic acid;SCHEMBL17921738;DTXSID40935569;4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid;4-[(Cholest-5-en-3-yl)oxy]butanoic acid;Butanoic acid, 4-(((3beta)-cholest-5-en-3-yl)oxy)-
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CAS No:
4-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]butanoic acid Basic Attributes
472.7 g/mol
472.39164552 g/mol
Computed Properties
Molecular Weight:472.7
XLogP3:8.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:472.39164552
Monoisotopic Mass:472.39164552
Topological Polar Surface Area:46.5
Heavy Atom Count:34
Complexity:741
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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