Name: 2α,3α-Epoxy-17β-methoxycarbonyl-5α-androstan-11-one
SMILES:
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]5O[C@@H]5C[C@]4(C)[C@H]3C(=O)C[C@]12CMolecular Processing
Molecular formula
C21H30O4
Molecular weight
346.47
Exact mass
346.2144
XLogP
3.37
TPSA
55.9
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
25
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
91.67
Supplementary Information
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