Name: 3α-hydroxy-2β-methyl-5α-pregnane-11,20-dione
SMILES:
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](C)C[C@]4(C)[C@H]3C(=O)C[C@]12CMolecular Processing
Molecular formula
C22H34O3
Molecular weight
346.51
Exact mass
346.2508
XLogP
4.02
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
96.84
Supplementary Information
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