17α-Ethynyl-17-hydroxy-5α-androstan-3-one
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17α-Ethynyl-17-hydroxy-5α-androstan-3-one
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CAS No:
13611-97-7
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Formula:
C21H30O2
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Chemical Name:
17α-Ethynyl-17-hydroxy-5α-androstan-3-one
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Synonyms:
Pregn-20-yn-3-one,17-hydroxy-,(5α,17α)-;5α,17α-Pregn-20-yn-3-one,17-hydroxy-;(5α,17α)-17-Hydroxypregn-20-yn-3-one;17α-Ethynyl-5α-androstan-17β-ol-3-one;17α-Ethynyl-17β-hydroxyandrostan-3-one;17α-Ethynyl-17-hydroxy-5α-androstan-3-one;5α-Androstan-17α-ethynyl-17β-ol-3-one;HE 3562;(5S,8R,9S,10S,13S,14S,17R)-17-Ethynyl-17-hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
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CAS No:
Computed Properties
Molecular Weight:314.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:314.224580195
Monoisotopic Mass:314.224580195
Topological Polar Surface Area:37.3
Heavy Atom Count:23
Complexity:586
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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