名称: methyl 3-oxo-4-androstene-17β-carboxylate
SMILES:
COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C21H30O3
Molecular weight
330.47
Exact mass
330.2195
XLogP
4.31
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
92.22
Supplementary Information
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