C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1
SMILES: C=CCC/C=C\C=C/CCCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](CC(=O)OC)OO2)O1

Molecular Processing

Molecular formula
C25H40O5
Molecular weight
420.59
Exact mass
420.2876
XLogP
6
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
30
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.72
Molar refractivity
118.92

Supplementary Information

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