SMILES:
CC12CCC3C(CCC4CC(OCC=O)CCC43C)C1CCC2=OMolecular Processing
Molecular formula
C21H32O3
Molecular weight
332.48
Exact mass
332.2351
XLogP
4.18
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
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
0.905
Molar refractivity
92.54
Supplementary Information
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