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151114

Cholesteryl acetate

Name: Cholesteryl acetate
Brand: ALDRICH

97%

Synonym(s):

3β-Acetoxy-5-cholestene, 3β-Hydroxy-5-cholestene 3-acetate, 5-Cholesten-3β-ol 3-acetate

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About This Item

Empirical Formula (Hill Notation):

C₂₉H₄₈O₂

CAS Number:

604-35-3

Molecular Weight:

428.69

UNSPSC Code:

12352103

NACRES:

NA.23

PubChem Substance ID:

24849092

EC Number:

210-066-4

Beilstein/REAXYS Number:

2064235

MDL number:

MFCD00003636

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Properties

assay

97%

form

liquid crystal

optical activity

[α]24/D −44°, c = 2 in chloroform

mp

112-114 °C (lit.)

SMILES string

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O

InChI

1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChI key

XUGISPSHIFXEHZ-VEVYEIKRSA-N

Description

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Spectral editing of organic mixtures into pure components using NMR spectroscopy and ultraviscous solvents.

André J Simpson et al.

Analytical chemistry, 80(1), 186-194 (2007-12-07)

A general technique is described that permits the extraction of a complete 1H NMR spectrum for components in organosoluble mixtures. The approach should find a wide range of applications considering that pure component spectra can be generated without the need

Chirality in liquid crystals

Goodby, J. W.

Journal of Materials Chemistry, 1(3), 307-318 (1991)

Crystal structure and thermal vibrations of cholesteryl acetate from neutron diffraction at 123 and 20 K.

H P Weber et al.

Acta crystallographica. Section B, Structural science, 47 ( Pt 1), 116-127 (1991-02-01)

Cholesteryl acetate (C29H48O2) at 20 K is monoclinic, space group P2(1) with a = 16,521 (4), b = 9,220 (2), c = 17,620 (5) A, beta = 107.18 (2) degrees and Z = 4 (two molecules in the asymmetric unit).

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Global Trade Item Number

SKU	GTIN
151114-100G	04061838739032
151114-25G	04061838739049