Cholesteryl palmitate - ≥97% , CAS No.601-34-3

CAS: 601-34-3 Cat. No.: C135859 分子式: C₄₃H₇₆O₂ 分子量: 625.08 Beilstein Registry Number: 6(3)2640

GRADE & PURITY ≥97%

Synonyms

Cholesterol Ester(16:0) | cholesteryl 1-palmitoic acid | Cholesteryl hexadecanoate | 16:0(CE) | (3beta)-cholest-5-en-3-yl hexadecanoate | OP0201 COMPONENT CHOLESTERYL PALMITATE | cholesterol 1-hexadecanoate | BBJQPKLGPMQWBU-JADYGXMDSA-N | cholesteryl 1-he

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

Cholesterol Ester(16:0) | cholesteryl 1-palmitoic acid | Cholesteryl hexadecanoate | 16:0(CE) | (3beta)-cholest-5-en-3-yl hexadecanoate | OP0201 COMPONENT CHOLESTERYL PALMITATE | cholesterol 1-hexadecanoate | BBJQPKLGPMQWBU-JADYGXMDSA-N | cholesteryl 1-he

仕様と純度

≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 504758081
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504758081
• カノニカル・スマイル: CCCCCCCCCCCCCCCC(=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] hexadecanoate
• InChIKey: BBJQPKLGPMQWBU-JADYGXMDSA-N
• INCHI: 1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1
• 異性体SMILES: CCCCCCCCCCCCCCCC(=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
• WGKドイツ: 3
• 分子量: 625.08
• Beilstein: 6(3)2640
• Reaxy-Rn: 1917757
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1917757&ln=

Taxonomic Classification

Taxonomy Tree

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

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

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

化学的性質と物理的性質

• 分子量: 625.100 g/mol
• XLogP3: 16.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 624.585 Da
• Monoisotopic Mass: 624.585 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 904.000
• 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

参考文献

1. Xiangxin Li, Yijing Pu, Yan Xu, Jiankang Cao, Weibo Jiang.  (2021)  Potential Hypolipidemic Effects of Banana Condensed Tannins Through the Interaction with Digestive Juice Components Related to Lipid Digestion.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34324317] [10.1021/acs.jafc.1c02794]