COC1(OCC23CCC(=O)C=C2CCC2C3CCC3(C)C(OC4(OC)CCCC4)CCC23)CCCC1
SMILES: COC1(OCC23CCC(=O)C=C2CCC2C3CCC3(C)C(OC4(OC)CCCC4)CCC23)CCCC1

Molecular Processing

Molecular formula
C31H48O5
Molecular weight
500.72
Exact mass
500.3502
XLogP
6.73
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.903
Molar refractivity
138.28

Supplementary Information

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