cholesteryl butyrate - ≥95%(GC) , CAS No.521-13-1

CAS: 521-13-1 Cat. No.: C135950 Summenformel: C₃₁H₅₂O₂ Molekulargewicht: 456.76

GRADE & PURITY ≥95%(GC)

Synonyms

50QA4YCP7F | Cholesterol Butyrate | Butyric Acid Cholesterol Ester | DTXSID101341216 | EINECS 208-304-7 | Cholest-5-en-3-ol (3beta)-, 3-butanoate | 3.beta.-Butanoyloxycholest-5-ene | CHOLEST-5-EN-3-BETA-YL BUTANOATE | HY-W013122 | cholesteryl n-butyrate |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

50QA4YCP7F | Cholesterol Butyrate | Butyric Acid Cholesterol Ester | DTXSID101341216 | EINECS 208-304-7 | Cholest-5-en-3-ol (3beta)-, 3-butanoate | 3.beta.-Butanoyloxycholest-5-ene | CHOLEST-5-EN-3-BETA-YL BUTANOATE | HY-W013122 | cholesteryl n-butyrate |

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 488187273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187273
• Kanonisches Lächeln: CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• 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] butanoate
• InChIKey: CKDZWMVGDHGMFR-GTPODGLVSA-N
• INCHI: 1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
• Isomere SMILES: CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
• Molekulargewicht: 456.76
• Reaxy-Rn: 2065754
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065754&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesteryl esters
• Alternative Parents: Cholesterols and derivatives Delta-5-steroids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesteryl ester - Cholesterol - Cholestane-skeleton - Delta-5-steroid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cholesteryl esters. These are compounds containing an esterified cholestane moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 456.700 g/mol
• XLogP3: 9.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 456.397 Da
• Monoisotopic Mass: 456.397 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 722.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Jing Li, Xiangyu Hao, Tian Hao Xiao, Bao Ting Zhu.  (2026)  Selective Mitochondrial Damage and Dysfunction in Cholesterol-Exposed Neuronal Cells: Role of Mitochondrial Lipid Peroxidation.  ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS,      [PMID:41825807] [10.1016/j.abb.2026.110790]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 521-13-1, the molecular formula is C31H52O2, and the molecular weight is 456.76 g/mol. InChIKey CKDZWMVGDHGMFR-GTPODGLVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.