이름: (3α,5β,7α,12α)-3,7,12-trihydroxy-cholan-24-oic acid 1,1-dimethylethyl ester
SMILES:
C[C@H](CCC(=O)OC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12CMolecular Processing
Molecular formula
C28H48O5
Molecular weight
464.69
Exact mass
464.3502
XLogP
4.71
TPSA
86.99
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
11
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.964
Molar refractivity
128.25
Supplementary Information
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