SMILES:
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=OMolecular Processing
Molecular formula
C20H28O3
Molecular weight
316.44
Exact mass
316.2038
XLogP
2.71
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
23
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
86.47
Supplementary Information
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