C4758
Cholesteryl butyrate
~95%
Synonym(s):
3β-Hydroxy-5-cholestene 3-butyrate, 5-Cholesten-3β-ol 3-butyrate, Cholesteryl butanoate
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About This Item
Empirical Formula (Hill Notation):
C31H52O2
CAS Number:
Molecular Weight:
456.74
PubChem Substance ID:
UNSPSC Code:
12352200
EC Number:
208-304-7
MDL number:
Beilstein/REAXYS Number:
3224721
assay
~95%
SMILES string
[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])[C@H](C)CCCC(C)C)OC(=O)CCC
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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G W Han et al.
Journal of lipid research, 35(11), 2069-2082 (1994-11-01)
Cholesteryl butanoate has a complex crystal structure that differs from those of the three main structure type for cholesteryl esters. It contains four molecules (C31H52O2) unrelated by crystal symmetry. The molecules are packed in almost planar sheets and have molecular
D A Langs et al.
Acta crystallographica. Section A, Foundations of crystallography, 51 ( Pt 1), 81-87 (1995-01-01)
The shake-and-bake procedure, which is based on the minimal function, has been tested and shown to be extremely effective in molecular-fragment recycling applications. Correctly positioned fragments as small as 5% of the scattering power of the structure typically have a
Andrea Brioschi et al.
Molecules (Basel, Switzerland), 13(2), 230-254 (2008-02-29)
Cholesterylbutyrate (Chol-but) was chosen as a prodrug of butyric acid. Butyrate is not often used in vivo because its half-life is very short and therefore too large amounts of the drug would be necessary for its efficacy. In the last