名称: 3β-cholestanol
SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C27H48O
Molecular weight
388.68
Exact mass
388.3705
XLogP
7.47
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
1
Molar refractivity
119.08
Supplementary Information
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