SMILES:
CC12CCC3C(C(C=O)CC4CC(=O)CCC43C)C1CCC2=OMolecular Processing
Molecular formula
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
3.59
TPSA
51.21
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
86.68
Supplementary Information
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