(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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![(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/eea5271787214df6b713a0c7c7841d14.png "(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one")
(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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CAS No:
66979-05-3
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Formula:
C21H32O6
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Chemical Name:
(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
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Synonyms:
3,6,17,21-tetrahydroxypregnane-11,20-dione;6 alpha-hydroxy(allo)tetrahydrocortisone;6 alpha-hydroxy(allo)tetrahydrocortisone, (3alpha,5beta,6alpha)-isomer;6AHATHCN;3,6,17,21-Tetrahydroxypregnane-11,20-dione;66979-05-3;6AHATHCN;6alpha-Hydroxy(allo)tetrahydrocortisone;DTXSID60985788;Pregnane-11,20-dione, 3,6,17,21-tetrahydroxy-, (3alpha,5alpha,6alpha)-
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CAS No:
(3R,5S,6S,8S,9S,10S,13S,14S,17R)-3,6,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one Basic Attributes
380.5 g/mol
380.21988874 g/mol
Computed Properties
Molecular Weight:380.5
XLogP3:0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:380.21988874
Monoisotopic Mass:380.21988874
Topological Polar Surface Area:115
Heavy Atom Count:27
Complexity:663
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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