Pregna-1,4,9(11),16-tetraene-3,20-dione


Chemical Name: Pregna-1,4,9(11),16-tetraene-3,20-dione
CAS Number: 117048-56-3
Product Number: AG000DMP(AGN-PC-0NZ6C4)
Synonyms:
MDL No:
Molecular Formula: C21H24O2
Molecular Weight: 308.4141

Identification/Properties


Computed Properties
Molecular Weight:
308.421g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
308.178g/mol
Monoisotopic Mass:
308.178g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
733
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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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