COC[C@]12CC[C@H](O)CC1=C(C)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
Name: 19-methoxy-6-methyl-5-androstene-3β,17β-diol
SMILES: COC[C@]12CC[C@H](O)CC1=C(C)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12

Molecular Processing

Molecular formula
C21H34O3
Molecular weight
334.5
Exact mass
334.2508
XLogP
3.69
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
94.54

Supplementary Information

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