Name: 17β-acetoxy-16α-ethyl-4,9,11-estratrien-3-one
SMILES:
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]2(C)[C@H]1OC(C)=OMolecular Processing
Molecular formula
C22H28O3
Molecular weight
340.46
Exact mass
340.2038
XLogP
4.54
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
96.76
Supplementary Information
Details werden geladen…
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