SMILES:
CC(C)CCC[C@@H](C)[C@H]1CC(O)[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CCC(OC(=O)c2ccccc2)C(C)(C)C1CC3Molecular Processing
Molecular formula
C36H54O3
Molecular weight
534.83
Exact mass
534.4073
XLogP
9
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
8
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
159.32
Supplementary Information
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