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Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2α,4α,5α,17β)-

Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2α,4α,5α,17β)- structure

CAS No:
71507-79-4
Formula:
C22H31NO3
Chemical Name:
Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2α,4α,5α,17β)-
Synonyms:
Androstane-2-carbonitrile,4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-,(2α,4α,5α,17β)-;4,5-Epoxy-5H-cyclopenta[a]phenanthrene,androstane-2-carbonitrile deriv.

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Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2α,4α,5α,17β)- Basic Attributes

Molecular Weight：

357.48644

Exact Mass：

357.49

EC Number：

275-587-1

Characteristics

PSA：

73.6 Å²

Density：

1.0954

Boiling Point：

480.38°C (rough estimate)

Refractive Index：

1.5614 (estimate)

Drug Information

MeSH Entry Terms：

(2alpha,4alpha,5alpha,17beta)-4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxoandrostane-2-carbonitrile

Computed Properties

Molecular Weight:357.5
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:357.23039385
Monoisotopic Mass:357.23039385
Topological Polar Surface Area:73.6
Heavy Atom Count:26
Complexity:756
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Androstane-2-carbonitrile, 4,5-epoxy-17-hydroxy-4,17-dimethyl-3-oxo-, (2α,4α,5α,17β)-

Basic Attributes
Characteristics
Drug Information
Computed Properties

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