CC1([C@H]2CC[C@]3(O)[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)OCCO1
Name: ethylenedioxypregnene
SMILES: CC1([C@H]2CC[C@]3(O)[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)OCCO1

Molecular Processing

Molecular formula
C23H36O5
Molecular weight
392.54
Exact mass
392.2563
XLogP
2.78
TPSA
79.15
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
28
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.913
Molar refractivity
104.36

Supplementary Information

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