6β-Hydroxy-7α-(thiomethyl) Spironolactone


Chemical Name: 6β-Hydroxy-7α-(thiomethyl) Spironolactone
CAS Number: 42219-60-3
Product Number: AG00C9LK(AGN-PC-0WAINP)
Synonyms:
MDL No:
Molecular Formula: C23H32O4S
Molecular Weight: 404.5628

Identification/Properties


Computed Properties
Molecular Weight:
404.565g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
404.202g/mol
Monoisotopic Mass:
404.202g/mol
Topological Polar Surface Area:
88.9A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
762
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
8
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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