[(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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[(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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CAS No:
23400-85-3
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Formula:
C22H29NO3
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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
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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
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CAS No:
[(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
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
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