Name: 5-hydroxy-15β,16β-methylene-3β-pivaloyloxy-5β-androst-6-en-17-one
SMILES:
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H]5C[C@H]5[C@H]4[C@@H]3C=C[C@]2(O)C1Molecular Processing
Molecular formula
C25H36O4
Molecular weight
400.56
Exact mass
400.2614
XLogP
4.3
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.84
Molar refractivity
109.8
Supplementary Information
Details werden geladen…
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