CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C

Molecular Processing

Molecular formula
C24H29ClO5
Molecular weight
432.94
Exact mass
432.1704
XLogP
3.58
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
0
Saturated rings
3
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
110.36

Supplementary Information

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