CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CCl)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1
Name: 21-chloro
SMILES: CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CCl)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1

Molecular Processing

Molecular formula
C27H42ClNO4
Molecular weight
480.09
Exact mass
479.2802
XLogP
4.08
TPSA
66.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.926
Molar refractivity
128.12

Supplementary Information

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