CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)OCCO1
Name: 20,20-ethylenedioxy-3α-hydroxy-5α-pregnan-11-one
SMILES: CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)OCCO1

Molecular Processing

Molecular formula
C23H36O4
Molecular weight
376.54
Exact mass
376.2614
XLogP
3.95
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
27
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.957
Molar refractivity
101.92

Supplementary Information

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