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Cholesteryl Stearate

Catalog Number
ACM35602698
CAS Number
35602-69-8
Product Name
Cholesteryl Stearate
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
Synonyms
Stearic acid cholesterol ester
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadecanoate
Molecular Weight
653.12
Molecular Formula
C45H80O2
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI
InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChI Key
XHRPOTDGOASDJS-XNTGVSEISA-N
Boiling Point
619.01 °C
Melting Point
79-83 °C(lit.)
Flash Point
360.6 °C
Purity
95%+
Density
0.9226 g/cm³
Solubility
Insoluble in water
Appearance
Solid
Storage
−20 °C
Assay
0.98
Complexity
934
Exact Mass
652.61583179
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Monoisotopic Mass
652.61583179
Packaging
1 kg
Refractive Index
1.505
Safety Description
S24/25
Stability
Stable under normal temperatures and pressures.
Storage Conditions
-20°C
Topological Polar Surface Area
26.3 Ų
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