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Home > Encyclopedia > (1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

(1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

(1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one structure

(1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one 

structure
  • CAS No:

    157998-91-9

  • Formula:

    C29H38O4

  • Chemical Name:

    (1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

  • Synonyms:

    acnistin B;Acnistin B;157998-91-9;DTXSID10935839;(1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one;17-Hydroxy-17-(4,4,5-trimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl)androsta-2,4,6-trien-1-one;2-Oxabicyclo(3.2.1)octan-3-one, 7-((17beta)-17-hydroxy-1-oxoandrosta-2,4,6-trien-17-yl)-4,4,5-trimethyl-, (1R,5R,7S)-;Androsta-2,4,6-trien-1-one, 17-hydroxy-17-(4,4,5-trimethyl-3-oxo-2-oxabicyclo(3.2.1)oct-7-yl)-, (17beta,17(1R,5R,7S))-

(1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one Basic Attributes

450.6 g/mol

450.27700969 g/mol

Characteristics

63.6 Ų

Drug Information

acnistin B

Computed Properties

Molecular Weight:450.6
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:450.27700969
Monoisotopic Mass:450.27700969
Topological Polar Surface Area:63.6
Heavy Atom Count:33
Complexity:1030
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of (1R)-7-[(10R,13S,17S)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

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