الاسم: 1-tert-butyl 4-((3aS,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-((E)-3-((1-(4-chlorophenyl)cyclopropyl)amino)-2-methyl-3-oxoprop-1-en-1-yl)-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-9-yl) 2,2-dimethylsuccinate
SMILES:
C/C(=C\[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2)C(=O)NC1(c2ccc(Cl)cc2)CC1Molecular Processing
Molecular formula
C52H74ClNO6
Molecular weight
844.62
Exact mass
843.5205
XLogP
12.04
TPSA
98.77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
60
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.731
Molar refractivity
237.82
Supplementary Information
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