이름: (24R)-22ξ-phenylsulfonyl-5,7-cholestadiene-3β,24,25-triol 3-tetrahydropyranyl ether
SMILES:
C[C@H](C(C[C@@H](O)C(C)(C)O)S(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC5CCCOC5)CC[C@]4(C)[C@H]3CC[C@]12CMolecular Processing
Molecular formula
C38H56O6S
Molecular weight
640.93
Exact mass
640.3798
XLogP
7.05
TPSA
93.06
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
45
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
10
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
177.38
Supplementary Information
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