Estra-4,9-dien-3-one,17-hydroxy-11-[4-(methylamino)phenyl]-17-(1-propynyl)-, (11b,17b)-


Chemical Name: Estra-4,9-dien-3-one,17-hydroxy-11-[4-(methylamino)phenyl]-17-(1-propynyl)-, (11b,17b)-
CAS Number: 104004-96-8
Product Number: AG008R9E(AGN-PC-0OSRAB)
Synonyms:
MDL No:
Molecular Formula: C28H33NO2
Molecular Weight: 415.56712

Identification/Properties


Computed Properties
Molecular Weight:
415.577g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
415.251g/mol
Monoisotopic Mass:
415.251g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
893
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
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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