CC(=O)OC1=CC[C@H]2[C@H]3CCc4cc(OC(C)=O)cc(OC(C)=O)c4[C@H]3CC[C@]12C
Name: rac.-1,3,17-triacetoxy-8α-estra-1,3,5(10),16-tetraene
SMILES: CC(=O)OC1=CC[C@H]2[C@H]3CCc4cc(OC(C)=O)cc(OC(C)=O)c4[C@H]3CC[C@]12C

Molecular Processing

Molecular formula
C24H28O6
Molecular weight
412.48
Exact mass
412.1886
XLogP
4.45
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
108.91

Supplementary Information

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