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Cholesteryl Chloride

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Catalog Number CI-SC-1193
Product Name Cholesteryl Chloride
CAS 910-31-6
Structure
Synonyms 3-beta-Chlorocholest-5-ene;Cholest-5-ene, 3-chloro-, (3beta)-;Cholest-5-ene, 3beta-chloro-;3-Chlorocholest-5-ene
IUPAC Name (3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthrene
Molecular Weight 405.1 g/mol
Molecular Formula C27H45Cl
InChI InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI Key OTVRYZXVVMZHHW-DPAQBDIFSA-N
Boiling Point 488.5 °C
Melting Point 94-96 °C
Purity 95%
Density 0.92 g/mL
Appearance Solid
Highest Usage In Residency Products 0.009
Isomeric SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)Cl)C)C
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