الاسم: (3β,5α,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate
SMILES:
C[C@H](CO)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3Molecular Processing
Molecular formula
C31H42O3
Molecular weight
462.67
Exact mass
462.3134
XLogP
7.12
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
1
Saturated rings
1
Aliphatic rings
4
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
136.3
Supplementary Information
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