C[C@]12CCC(=O)CC1[C@@H](NC=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
SMILES: C[C@]12CCC(=O)CC1[C@@H](NC=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C20H29NO3
Molecular weight
331.46
Exact mass
331.2147
XLogP
2.89
TPSA
63.24
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
90.11

Supplementary Information

Details werden geladen…

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