C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
名称: lithocholic acid
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C24H40O3
Molecular weight
376.58
Exact mass
376.2977
XLogP
5.51
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.958
Molar refractivity
107.26

Supplementary Information

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