C#C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)CC12
SMILES: C#C[C@H]1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)CC12

Molecular Processing

Molecular formula
C21H28O2
Molecular weight
312.45
Exact mass
312.2089
XLogP
4.03
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
89.45

Supplementary Information

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