이름: 6α-hydroxymethylandrostane-3,17-dione
SMILES:
C[C@]12CCC(=O)CC1[C@@H](CO)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12Molecular Processing
Molecular formula
C20H30O3
Molecular weight
318.46
Exact mass
318.2195
XLogP
3.39
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
87.7
Supplementary Information
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