Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-,(9b,11b,16b)-


Chemical Name: Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-,(9b,11b,16b)-
CAS Number: 981-34-0
Product Number: AG0038IL(AGN-PC-0W7XHT)
Synonyms:
MDL No:
Molecular Formula: C22H28O5
Molecular Weight: 372.4547

Identification/Properties


Computed Properties
Molecular Weight:
372.461g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
372.194g/mol
Monoisotopic Mass:
372.194g/mol
Topological Polar Surface Area:
87.1A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
814
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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