SMILES:
CC1CCC2(OC1)OC1C=C3C4CCC5CC(=O)C(Br)CC5(C)C4CC(=O)C3(C)C1C2CMolecular Processing
Molecular formula
C27H37BrO4
Molecular weight
505.49
Exact mass
504.1875
XLogP
5.47
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
32
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
11
Undefined stereo
11
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.852
Molar refractivity
125.19
Supplementary Information
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