2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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![2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/48fb14d28fc74cfb9cc616fd13a433a2.png "2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid")
2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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CAS No:
60918-94-7
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Formula:
C21H32O5
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Chemical Name:
2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid
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Synonyms:
17-deoxycortolonic acid;3 alpha,20-dihydroxy-11-oxo-5 beta-pregnan-21-oic acid;60918-94-7;17-Deoxycortolonic acid;DTXSID50976387;3,20-Dihydroxy-11-oxopregnan-21-oic acid;3alpha,20-Dihydroxy-11-oxo-5beta-pregnan-21-oic acid;Pregnan-21-oic acid, 3,20-dihydroxy-11-oxo-, (3alpha,5beta,20S)-
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CAS No:
2-hydroxy-2-[(3R,5R,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]acetic acid Basic Attributes
364.5 g/mol
364.22497412 g/mol
Computed Properties
Molecular Weight:364.5
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:364.22497412
Monoisotopic Mass:364.22497412
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:618
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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