[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
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[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
structure -
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CAS No:
56376-32-0
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Formula:
C29H49BrO3
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Chemical Name:
[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
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Synonyms:
NSC71773;NSC-71773;3beta-Acetoxy-6beta-bromocholestane-5alpha-ol;Cholestane-3, 6-bromo-, 3-acetate, (3.beta.,5.alpha.,6.beta.)-;56376-32-0
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CAS No:
[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-bromo-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate Basic Attributes
525.6 g/mol
524.28651 g/mol
71773
Computed Properties
Molecular Weight:525.6
XLogP3:9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:524.28651
Monoisotopic Mass:524.28651
Topological Polar Surface Area:46.5
Heavy Atom Count:33
Complexity:724
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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