이름: methyl(11R,12S,13E,15S,17R)-9-isobutyryloxy-11,15-bis(tert-butyldimethylsiloxy)-17,20-dimethyl-7-thiaprosta-8,13-dienoate
SMILES:
CCCC[C@@H](C)C[C@@H](/C=C/[C@@H]1C(SCCCCCC(=O)OC)=C(OC(=O)C(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)CMolecular Processing
Molecular formula
C38H72O6SSi2
Molecular weight
713.23
Exact mass
712.4588
XLogP
11.44
TPSA
71.06
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
20
Heavy atoms
47
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.842
Molar refractivity
205.59
Supplementary Information
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