Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-


Chemical Name: Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-17-hydroxy-
CAS Number: 125-10-0
Product Number: AG000MYP(AGN-PC-0O0Q3Y)
Synonyms:
MDL No:
Molecular Formula: C23H28O6
Molecular Weight: 400.4648

Identification/Properties


Computed Properties
Molecular Weight:
400.471g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
400.189g/mol
Monoisotopic Mass:
400.189g/mol
Topological Polar Surface Area:
97.7A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
869
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
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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