Name: 1α-(tert-butyldimethylsilyloxy)-3β-hydroxy-20(S)-(4-methyl-4-triethylsilyloxypentylthio)pregna-5,7,16-triene
SMILES:
CC[Si](CC)(CC)OC(C)(C)CCCS[C@@H](C)C1=CC[C@H]2C3=CC=C4C[C@@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C39H70O3SSi2
Molecular weight
675.22
Exact mass
674.4584
XLogP
11.47
TPSA
38.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
45
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.846
Molar refractivity
202.12
Supplementary Information
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