الاسم: enone{(1S,5R,6R,7R)-6-[(1E,4R)-3-oxo-4-(m-tolyl)-1-pentenyl]-7-benzoyloxy-2-oxabicyclo[3.3.0]octan-3-one}
SMILES:
Cc1cccc([C@@H](C)C(=O)/C=C/[C@@H]2[C@H]3CC(=O)O[C@H]3C[C@H]2OC(=O)c2ccccc2)c1Molecular Processing
Molecular formula
C26H26O5
Molecular weight
418.49
Exact mass
418.178
XLogP
4.4
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
115.48
Supplementary Information
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