SMILES:
COC1(OC)CCC2=C(CC(C)C3C2CCC2(C)C(=O)CCC32)C1Molecular Processing
Molecular formula
C21H32O3
Molecular weight
332.48
Exact mass
332.2351
XLogP
4.51
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
93.46
Supplementary Information
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