Cholesteryl acetate - ≥99% , CAS No.604-35-3

CAS: 604-35-3 Cat. No.: C753561 분자식: C₂₉H₄₈O₂ 분자량: 428.69 Beilstein Registry Number: 2064235 EC 번호: 210-066-4

GRADE & PURITY ≥99%

Synonyms

3β-Acetoxy-5-cholestene | 3β-Hydroxy-5-cholestene 3-acetate | 5-Cholesten-3β-ol 3-acetate | Acetic Acid Cholesterol Ester Acetyl Cholesterol

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

3β-Acetoxy-5-cholestene | 3β-Hydroxy-5-cholestene 3-acetate | 5-Cholesten-3β-ol 3-acetate | Acetic Acid Cholesterol Ester Acetyl Cholesterol

사양 및 순도

≥99%

안정성 및 스토리지

Seal the container at 2-8 ℃, store it in a sealed main container, and place it in a cool, dry place.

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥99%

이름과 식별자

• 정식 스마일: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)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] acetate
• InChIKey: XUGISPSHIFXEHZ-VEVYEIKRSA-N
• 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
• 이성체 SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C
• WGK 독일: 3
• 분자량: 428.69
• Beilstein: 2064235
• Reaxy-Rn: 2064228
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064228&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: This compound belongs to the class of organic compounds known as cholesteryl esters. These are compounds containing an esterified cholestane moiety.
• External Descriptors: Cholesterol and derivatives

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

화학 및 물리적 특성

• 특정 회전[α]: -40 ° (C=2, Toluene)
• 녹는점(°C): 111℃～116℃
• 분자량: 428.700 g/mol
• XLogP3: 9.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 428.365 Da
• Monoisotopic Mass: 428.365 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 693.000
• 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

참고 문헌

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]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 604-35-3, the molecular formula is C29H48O2, and the molecular weight is 428.69 g/mol. InChIKey XUGISPSHIFXEHZ-VEVYEIKRSA-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.