Pregnan-20-one, 3,17,21-trihydroxy-, (3a,5b)-


Chemical Name: Pregnan-20-one, 3,17,21-trihydroxy-, (3a,5b)-
CAS Number: 68-60-0
Product Number: AG01CCLP(AGN-PC-0OGLJL)
Synonyms:
MDL No:
Molecular Formula: C21H34O4
Molecular Weight: 350.49226

Identification/Properties


Computed Properties
Molecular Weight:
350.499g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
350.246g/mol
Monoisotopic Mass:
350.246g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
562
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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