CC1=C2C[C@@H](C)[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(CO)CC[C@@H]1O
Name: 4,7α-dimethyl-4-androstene-3β,17β,19-triol
SMILES: CC1=C2C[C@@H](C)[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@@]2(CO)CC[C@@H]1O

Molecular Processing

Molecular formula
C21H34O3
Molecular weight
334.5
Exact mass
334.2508
XLogP
3.28
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
94.29

Supplementary Information

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