SMILES:
CC1CCC2(OC1)OC1CC3C4CCC5CC(=O)C=CC5(C)C4CCC3(C)C1C2CMolecular Processing
Molecular formula
C27H40O3
Molecular weight
412.61
Exact mass
412.2977
XLogP
5.78
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
30
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
11
Undefined stereo
11
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
116.63
Supplementary Information
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