CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Name: (5α)-21-(acetyloxy)pregn-2-ene-11,20-dione
SMILES: CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3C(=O)C[C@]12C

Molecular Processing

Molecular formula
C23H32O4
Molecular weight
372.51
Exact mass
372.2301
XLogP
4.12
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
101.77

Supplementary Information

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