Name: 1α,3β-bis(tert-butyldimethylsilyloxy)-20(S)-(3-hydroxy-3-methylbutyloxy)pregna-5,7,16-triene
SMILES:
C[C@H](OCCC(C)(C)O)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
C38H68O4Si2
Molecular weight
645.13
Exact mass
644.4656
XLogP
10.36
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
44
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
0.842
Molar refractivity
191
Supplementary Information
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