151114
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:
Molecular Weight:
428.69
UNSPSC Code:
12352103
NACRES:
NA.23
PubChem Substance ID:
EC Number:
210-066-4
Beilstein/REAXYS Number:
2064235
MDL number:
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
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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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)
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
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).