2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
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![2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0c03148262e4450684e384a49d4db446.png "2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid")
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
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CAS No:
62358-12-7
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Formula:
C21H28O6
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Chemical Name:
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid
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Synonyms:
11,17,20-trihydroxy-3-oxo-1,4-pregnadien-21-oic acid;20-dihydroprednisolonic acid;20-dihydroprednisolonic acid, (11-beta,20S)-isomer;20-dihydroprednisolonic acid, (11beta,20R)-isomer;20-Dihydroprednisolonic acid;62358-12-7;2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid;SCHEMBL10526554;DTXSID20977907;11,17,20-Trihydroxy-3-oxo-1,4-pregnadien-21-oic acid;11,17,20-Trihydroxy-3-oxopregna-1,4-dien-21-oic acid;Pregna-1,4-dien-21-oic acid, 11,17,20-trihydroxy-3-oxo-, (11beta)-
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CAS No:
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyacetic acid Basic Attributes
376.4 g/mol
376.18858861 g/mol
Computed Properties
Molecular Weight:376.4
XLogP3:1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:376.18858861
Monoisotopic Mass:376.18858861
Topological Polar Surface Area:115
Heavy Atom Count:27
Complexity:756
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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