SMILES:
C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C37H52O3
Molecular weight
544.82
Exact mass
544.3916
XLogP
8.96
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
40
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.73
Molar refractivity
160.21
Supplementary Information
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