이름: (24R)-5,7-cholestadiene-3β,24,25-triol 3-tetrahydropyranyl ether
SMILES:
C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC5CCCOC5)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C32H52O4
Molecular weight
500.76
Exact mass
500.3866
XLogP
6.6
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
144.59
Supplementary Information
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