4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
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![4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dfa7a55fa3124e509bd17472ccefbc79.png "4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid")
4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
structure -
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CAS No:
81125-67-9
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Formula:
C33H54O4
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Chemical Name:
4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
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Synonyms:
81125-67-9;.beta.-Sitosterol hydrogen succinate;SITOSTEROL, HEMISUCCINATE;SCHEMBL15001151;DTXSID50329197;NSC99628;NSC-99628;.beta.-Sitosterol, hydrogen succinate;4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid;Cholest-5-en-3.beta.-ol, hydrogen succinate;Stigmast-5-en-3.beta.-ol, hydrogen succinate;4-Oxo-4-[(stigmast-5-en-3-yl)oxy]butanoic acid
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CAS No:
4-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Basic Attributes
514.8 g/mol
514.40221020 g/mol
99628
DTXSID50329197
Computed Properties
Molecular Weight:514.8
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:514.40221020
Monoisotopic Mass:514.40221020
Topological Polar Surface Area:63.6
Heavy Atom Count:37
Complexity:860
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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