名称: (3β,5α)-3-hydroxypregnane-11,20-dione
SMILES:
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12CMolecular Processing
Molecular formula
C21H32O3
Molecular weight
332.48
Exact mass
332.2351
XLogP
3.77
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
92.29
Supplementary Information
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