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Home > Encyclopedia > [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate

[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate

[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate structure

[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate 

structure
  • CAS No:

    23400-85-3

  • Formula:

    C22H29NO3

  • Chemical Name:

    [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate

  • Synonyms:

    3-Aza-17-alpha-ethynyl-17-beta-acetoxy-19-nor-A-homoandrost-4a-en-4-one;23400-85-3;BRN 1554499;Cyclopenta(5,6)naphth(1,2-d)azepin-2(3H)-one, 4,5,6,7,7a,8,9,10,10a,10b,11,12-dodecahydro-8-alpha-ethynyl-8-beta-hydroxy-7a-methyl-, acetate (ester);DTXSID50177958

[(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate Basic Attributes

355.5 g/mol

355.21474379 g/mol

DTXSID50177958

Characteristics

55.4 Ų

Computed Properties

Molecular Weight:355.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:355.21474379
Monoisotopic Mass:355.21474379
Topological Polar Surface Area:55.4
Heavy Atom Count:26
Complexity:716
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-12a-methyl-7-oxo-3,3a,3b,4,5,8,9,10,10a,10b,11,12-dodecahydro-2H-indeno[4,5-i][3]benzazepin-1-yl] acetate

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