C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Name: nitrogen in
SMILES: C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

Molecular Processing

Molecular formula
C27H42O3
Molecular weight
414.63
Exact mass
414.3134
XLogP
5.71
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
30
Rings
6
Aromatic rings
0
Saturated rings
5
Aliphatic rings
6
Stereo centers
11
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.926
Molar refractivity
117.7

Supplementary Information

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