Name: 1α,3β-bis(tert-butyldimethylsilyloxy)-20(S)-{3-ethyl-2(R)-hydroxypentylthio}pregna-5,7,16-triene
SMILES:
CCC(CC)[C@@H](O)CS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C40H72O3SSi2
Molecular weight
689.25
Exact mass
688.4741
XLogP
11.72
TPSA
38.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
46
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
206.67
Supplementary Information
Details werden geladen…
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