이름: 17β-tert-butyl-dimethylsilyloxy-3-hydroxyestra-1,3,5(10)-triene-2-carbox aldehyde
SMILES:
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)c(C=O)cc4[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C25H38O3Si
Molecular weight
414.66
Exact mass
414.259
XLogP
6.45
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
120.18
Supplementary Information
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