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Cholesteryl acetate

Catalog Number
604-35-3
CAS
604-35-3
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] acetate
Synonyms
3β-Acetoxy-5-cholestene; 3β-Hydroxy-5-cholestene 3-acetate; 5-Cholesten-3β-ol 3-acetate; (-)-Cholesteryl acetate; Cholesterol acetate; Cholesterol 3-acetate; 3β-Acetoxycholest-5-ene; Cholest-5-en-3β-ol acetate; Cholest-5-en-3β-yl acetate; (3β)-Cholest-5-en-3-ol acetate; (3β)-Cholest-5-en-3-yl acetate; Cholest-5-en-3β-ol, 3-acetate; Cholesteryl Acetic Acid; NSC 8799
Molecular Weight
428.69
Molecular Formula
C29H48O2
Chemical structural formula

Product Information

Purity
97%
MDL
MFCD00003636
Appearance
White to off-white solid
Storage
Store at RT
Boiling Point
493.3±24.0 °C at 760 mmHg
Melting Point
112-114 °C
Flash Point
248.8°C
Density
1.0±0.1 g/cm3
Optical Activity
[α]24/D −44°, c = 2 in chloroform
Solubility
Soluble in Chloroform (Slightly), Methanol (Slightly)
Refractive Index
1.515

Safety Information

WGK Germany
3
Canonical SMILES
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
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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