CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1
Name: 3β-acetoxyandrost-5-ene-7,17-dione
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1

Molecular Processing

Molecular formula
C21H28O4
Molecular weight
344.45
Exact mass
344.1988
XLogP
3.63
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
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
0.762
Molar refractivity
92.65

Supplementary Information

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