이름: 5,6β-epoxy-7β-hydroxy-15β,16β-methylene-3β-pivaloyloxy-5β-androstan-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]3[C@@H](O)[C@H]3O[C@]32C1Molecular Processing
Molecular formula
C25H36O5
Molecular weight
416.56
Exact mass
416.2563
XLogP
3.51
TPSA
76.13
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
30
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
11
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.92
Molar refractivity
109.32
Supplementary Information
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