الاسم: (3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-3a-(2-((4-chlorobenzyl)(2-(dimethylamino)ethyl)amino)acetyl)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-2-one
SMILES:
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=OMolecular Processing
Molecular formula
C42H63ClN2O3
Molecular weight
679.43
Exact mass
678.4527
XLogP
8.61
TPSA
60.85
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
48
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.762
Molar refractivity
195.73
Supplementary Information
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