4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
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![4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/669932ff69674e678504b5cbecef4aab.png "4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid")
4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
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CAS No:
134329-94-5
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Formula:
C33H52O5
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Chemical Name:
4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
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Synonyms:
7-(3-oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid;OOOA;134329-94-5;OOOA;7-(3-Oxocholest-4-en-2-yl)-5-oxa-4-oxoheptanoic acid;DTXSID50928568;4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid;4-Oxo-4-[2-(3-oxocholest-4-en-2-yl)ethoxy]butanoic acid;4-Oxo-4-[2-(3-oxocholest-4-en-2alpha-yl)ethoxy]butanoic acid;Cholest-4-en-3-one, 2-(2-(3-carboxy-1-oxopropoxy)ethyl)-, (2alpha)-
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CAS No:
4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid Basic Attributes
528.8 g/mol
528.38147475 g/mol
Computed Properties
Molecular Weight:528.8
XLogP3:8.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:528.38147475
Monoisotopic Mass:528.38147475
Topological Polar Surface Area:80.7
Heavy Atom Count:38
Complexity:920
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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