[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
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[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
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CAS No:
130399-79-0
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Formula:
C28H32O7
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Chemical Name:
[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
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Synonyms:
17-benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal;17alpha-benzoyloxy-11beta-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal;BHDPA;130399-79-0;BHDPA;DTXSID60926717;17-Benzoyloxy-11-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal;17alpha-Benzoyloxy-11beta-hydroxy-3,20-dioxo-1,4-pregnadien-21-al hemiacetal;[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate;11,21,21-Trihydroxy-3,20-dioxopregna-1,4-dien-17-yl benzoate
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CAS No:
[(8S,9S,10R,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate Basic Attributes
480.5 g/mol
480.21480336 g/mol
Computed Properties
Molecular Weight:480.5
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:480.21480336
Monoisotopic Mass:480.21480336
Topological Polar Surface Area:121
Heavy Atom Count:35
Complexity:976
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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