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Home > Encyclopedia > [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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
  • CAS No:

    3258-30-8

  • Formula:

    C29H49FO3

  • Chemical Name:

    [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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

  • Synonyms:

    NSC71772;ZINC4804293;NSC-71772;[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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;3258-30-8;Cholestane-3, 6-fluoro-, 3-acetate, (3.beta.,5.alpha.,6.beta.)-

[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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

464.7 g/mol

464.36657358 g/mol

71772

Characteristics

46.5 Ų

Computed Properties

Molecular Weight:464.7
XLogP3:8.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:464.36657358
Monoisotopic Mass:464.36657358
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

Guide of [(3S,5R,6R,8S,9S,10R,13R,14S,17R)-6-fluoro-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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