C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
SMILES: C[C@]12CC[C@H]3[C@@H]([C@H](O)CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

Molecular Processing

Molecular formula
C19H28O3
Molecular weight
304.43
Exact mass
304.2038
XLogP
2.85
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22
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
0.842
Molar refractivity
84.11

Supplementary Information

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