الاسم: (3β,5α,20S)-3-(benzoyloxy)-4,4-dimethylpregna-8,14-diene-20-carboxaldehyde
SMILES:
C[C@H](C=O)[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
C31H40O3
Molecular weight
460.66
Exact mass
460.2977
XLogP
7.33
TPSA
43.37
H-bond donors
0
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
0.613
Molar refractivity
135.28
Supplementary Information
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