Name: methyl 4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(2-(tert-butoxycarbonylamino)ethylamino)-5a,5b,8,8,11a-pentamethyl-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(NCCNC(=O)OC(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)OC)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12Molecular Processing
Molecular formula
C44H66N2O4
Molecular weight
687.02
Exact mass
686.5023
XLogP
9.99
TPSA
76.66
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
50
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
202.65
Supplementary Information
Details werden geladen…
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