Nom: (11β,16β)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propylcarbamate
SMILES:
CCCNC(=O)O[C@]1(C(=O)COC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21CMolecular Processing
Molecular formula
C28H38FNO7
Molecular weight
519.61
Exact mass
519.2632
XLogP
3.61
TPSA
119
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
132.05
Supplementary Information
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