Nom: methyl 2-fluoro-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-(3-(2-oxopyrrolidin-1-yl)propylamino)-1-(prop-1-en-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,11,11a,11b,12,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-9-yl)benzoate
SMILES:
C=C(C)[C@@H]1CC[C@]2(NCCCN3CCCC3=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)c(F)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C44H63FN2O3
Molecular weight
687
Exact mass
686.4823
XLogP
9.62
TPSA
58.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
50
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
198.8
Supplementary Information
Récupération des détails…
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