(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
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![(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f0039cb029a943dc93e663098e7cc88e.png "(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one")
(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
structure -
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CAS No:
566-34-7
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Formula:
C21H30O5
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Chemical Name:
(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
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Synonyms:
UNII-IKA642OBNA;IKA642OBNA;(5beta)-4,5-dihydroprednisolone;NSC-15471;566-34-7;NSC15471;4,5-Dihydroprednisolone, (5beta)-;Q27280768;5beta-Pregn-1-ene-3,20-dione, 11beta,17,21-trihydroxy-;Pregn-1-ene-3,20-dione, 11,17,21-trihydroxy-, (5beta,11beta)-
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CAS No:
(5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one Basic Attributes
362.5 g/mol
362.20932405 g/mol
IKA642OBNA
15471
Computed Properties
Molecular Weight:362.5
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:362.20932405
Monoisotopic Mass:362.20932405
Topological Polar Surface Area:94.8
Heavy Atom Count:26
Complexity:671
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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