CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3OC32C1
Name: 5,6α-epoxicholestan-3β-yl acetate
SMILES: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3OC32C1

Molecular Processing

Molecular formula
C29H48O3
Molecular weight
444.7
Exact mass
444.3603
XLogP
7.17
TPSA
38.83
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
10
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.966
Molar refractivity
128.12

Supplementary Information

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