SMILES:
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCI)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C27H43IO2
Molecular weight
526.54
Exact mass
526.2308
XLogP
7.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
132.97
Supplementary Information
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