Structure

Cholesteryl Acetate

CAS
604-35-3
Catalog Number
ACM604353
Category
Organic & Printed Electronics; Cholesteryl Esters
Molecular Weight
428.69
Molecular Formula
C29H48O2

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Specification

Description
Cholesterol is a major component of all biological membranes; Cholesterol was found in all body tissues, especial in the brain, spinal cord, and in animal fats or oils.
Synonyms
3β-Acetoxy-5-cholestene
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
InChI Key
XUGISPSHIFXEHZ-VEVYEIKRSA-N
Boiling Point
483.49 °C
Melting Point
111-116 ℃
Flash Point
248.8°C
Density
0.99 g/cm³
Appearance
White fine crystalline powder or needles
Storage
-20 °C
Assay
0.99
CNo.Chain
C2:0
Compound Derivative
Acetate
Exact Mass
428.36500
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
Packaging
25 kg/DRUMS
Physical State
Powder to crystal
Refractive Index
1.515
Safety Description
S22-S24/25
Stability
Stable under normal temperatures and pressures.
Storage Conditions
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
WGK Germany
3
What is the PubChem CID of cholesteryl acetate?

The PubChem CID of cholesteryl acetate is 2723897.

What is the molecular formula of cholesteryl acetate?

The molecular formula of cholesteryl acetate is C29H48O2.

What is the molecular weight of cholesteryl acetate?

The molecular weight of cholesteryl acetate is 428.7 g/mol.

What is the IUPAC name of cholesteryl acetate?

The IUPAC name of cholesteryl acetate is [(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.

What is the InChI of cholesteryl acetate?

The InChI of cholesteryl acetate is 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.

What is the InChIKey of cholesteryl acetate?

The InChIKey of cholesteryl acetate is XUGISPSHIFXEHZ-VEVYEIKRSA-N.

What is the canonical SMILES of cholesteryl acetate?

The canonical SMILES of cholesteryl acetate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C.

What is the CAS number of cholesteryl acetate?

The CAS number of cholesteryl acetate is 604-35-3.

What is the UNII of cholesteryl acetate?

The UNII of cholesteryl acetate is OTA9A3781T.

What is the ChEMBL ID of cholesteryl acetate?

The ChEMBL ID of cholesteryl acetate is CHEMBL3138728.

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