CAS 17110-51-9 Cholesteryl Oleyl Carbonate - Materials / Alfa Chemistry

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Liquid Crystal (LC) Materials

Cholesteryl Oleyl Carbonate

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Catalog Number

ACM17110519

Product Name

Cholesteryl Oleyl Carbonate

Structure

CAS

17110-51-9

Category

Liquid Crystal (LC) Materials

Synonyms

Cholest-5-en-3-ol (3beta)-, (9Z)-9-octadecenyl carbonate;Cholest-5-en-3beta-yl (Z)-octadec-9-en-1-yl carbonate

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] [(Z)-octadec-9-enyl] carbonate

Molecular Weight

681.13

Molecular Formula

C46H80O3

Canonical SMILES

CCCCCCCC/C=C\CCCCCCCCOC(=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

InChI

XMPIMLRYNVGZIA-TZOMHRFMSA-N

InChI Key

InChI=1S/C46H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-48-44(47)49-39-30-32-45(5)38(35-39)26-27-40-42-29-28-41(37(4)25-23-24-36(2)3)46(42,6)33-31-43(40)45/h14-15,26,36-37,39-43H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,45+,46-/m1/s1

Boiling Point

633 °C

Melting Point

20 °C

Purity

0.98

Density

0.94g/ml

Appearance

White to light yellow waxy liquid

Storage

Room temperature.