Name: 17β-methoxycarbonyl-3β-toluene-p-sulphonyloxy-5α-androstan-11-one
SMILES:
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3C(=O)C[C@]12CMolecular Processing
Molecular formula
C28H38O6S
Molecular weight
502.67
Exact mass
502.2389
XLogP
5.08
TPSA
86.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
130.86
Supplementary Information
Details werden geladen…
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