Name: 17,17-bis(ethylendioxy)-7α-hydroxyandrostane
SMILES:
C[C@]12CCCCC1C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC13OCCOC12OCCO3Molecular Processing
Molecular formula
C23H36O5
Molecular weight
392.54
Exact mass
392.2563
XLogP
3.49
TPSA
57.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
28
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
1
Molar refractivity
102.39
Supplementary Information
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