Nombre: 7α-(5-acetoxypentyl)-estr-4-ene-3,17-dione
SMILES:
CC(=O)OCCCCC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12Molecular Processing
Molecular formula
C25H36O4
Molecular weight
400.56
Exact mass
400.2614
XLogP
5.05
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
111.07
Supplementary Information
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