CC(C)=CCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O
SMILES: CC(C)=CCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O

Molecular Processing

Molecular formula
C23H37ClO4
Molecular weight
413
Exact mass
412.238
XLogP
5.09
TPSA
77.76
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
28
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
115.46

Supplementary Information

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