C[C@H](C(O)c1ccccc1)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3
SMILES: C[C@H](C(O)c1ccccc1)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3

Molecular Processing

Molecular formula
C37H46O3
Molecular weight
538.77
Exact mass
538.3447
XLogP
8.86
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
40
Rings
6
Aromatic rings
2
Saturated rings
1
Aliphatic rings
4
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.541
Molar refractivity
160.61

Supplementary Information

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