CAS 35602-69-8 Cholesteryl Stearate - Materials / Alfa Chemistry

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Cholesteryl Stearate

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Catalog Number

ACM35602698

Product Name

Cholesteryl Stearate

Structure

CAS

35602-69-8

Category

Liquid Crystal (LC) Building Blocks

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