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Sigma-Aldrich

Cholesteryl acetate

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
Beilstein:
2064235
EC Number:
210-066-4
MDL number:
MFCD00003636
UNSPSC Code:
12352103
PubChem Substance ID:
24849092
NACRES:
NA.23

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

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Related Categories

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Ana Paula D M Espindola et al.
Journal of the American Chemical Society, 131(44), 15994-15995 (2009-10-23)
A new technique to deconvolute complex (1)H NMR spectra of small molecules has been developed that utilizes shape selective pulses to simultaneously decouple multiple protons. A limitation in the assignment of the relative configuration of small molecules is the ability
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).
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)
Allylic nitration of 3 beta-sitosterol and cholesterol acetate: preparation of 7-nitro derivatives.
M Jiménez-Estrada et al.
Steroids, 62(6), 500-503 (1997-06-01)
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