CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1
名称: 3β-acetoxy-17-(3-pyridyl)androsta-5,16-diene
SMILES: CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(c4cccnc4)=CC[C@@H]32)C1

Molecular Processing

Molecular formula
C26H33NO2
Molecular weight
391.56
Exact mass
391.2511
XLogP
5.97
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
114.85

Supplementary Information

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