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Cholesteryl Hydroxystearate

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Catalog Number CI-SC-1223
Product Name Cholesteryl Hydroxystearate
CAS 40445-72-5
Structure
Synonyms Cholest-5-en-3-ol (3beta)-, 12-hydroxyoctadecanoate;Cholesterol 12-hydroxystearate
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] 12-hydroxyoctadecanoate
Molecular Weight 669.1 g/mol
Molecular Formula C45H80O3
InChI InChI=1S/C45H80O3/c1-7-8-9-16-22-37(46)23-17-14-12-10-11-13-15-18-24-43(47)48-38-29-31-44(5)36(33-38)25-26-39-41-28-27-40(35(4)21-19-20-34(2)3)45(41,6)32-30-42(39)44/h25,34-35,37-42,46H,7-24,26-33H2,1-6H3/t35-,37?,38+,39+,40-,41+,42+,44+,45-/m1/s1
InChI Key XKMYWNHZAQUEPY-YZGJEOKZSA-N
Boiling Point 695.3±38.0 °C
Melting Point 78-79 °C
Purity 95%
Density 0.97 g/mL
Appearance Solid
Highest Usage In Residency Products 0.05
Isomeric SMILES CCCCCCC(CCCCCCCCCCC(=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)O
pKa 15.40±0.20
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Verification code