الاسم: (1S,5R,6R,7R)-6-[(1E,3R,4R)-3-hydroxy-4-(m-tolyl)-1-pentenyl]-7-benzoyloxy-2-oxabicyclo[3.3.0]octan-3-one
SMILES:
Cc1cccc([C@@H](C)[C@H](O)/C=C/[C@@H]2[C@H]3CC(=O)O[C@H]3C[C@H]2OC(=O)c2ccccc2)c1Molecular Processing
Molecular formula
C26H28O5
Molecular weight
420.51
Exact mass
420.1937
XLogP
4.19
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
116.48
Supplementary Information
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