Coprostanol - Moligand™, ≥98% , CAS No.360-68-9

CAS: 360-68-9 Cat. No.: C274756 分子式: C₂₇H₄₈O 分子量: 388.67 EC番号: 206-638-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-PPT67I3S74 | 3b-Hydroxy-5b-cholestanol | Koprosterin; Stercorin;NSC 5060 | NSC5060 | NSC-5060 | AKOS037645036 | Q5168983 | 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid methyl ester | 5beta-Cholestan-3beta-ol | Koprosterol | (3b,5b)-cholestan-3-ol

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

概要

Coprostanol (5β-Cholestan-3β-ol) is a fecal sterol formed by microbial reduction of cholesterol in the intestines of man and higher animals. Coprostanol can be used as an indicator sterol of fecal pollution. Coprostanol has been recognized as a good indicator of pollution of water resources by sewage discharges. Coprostanol can serve as a potential biological indicator for cerebral chondrodystrophy (CTX)；

Specifications

同義語

UNII-PPT67I3S74 | 3b-Hydroxy-5b-cholestanol | Koprosterin; Stercorin;NSC 5060 | NSC5060 | NSC-5060 | AKOS037645036 | Q5168983 | 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid methyl ester | 5beta-Cholestan-3beta-ol | Koprosterol | (3b,5b)-cholestan-3-ol

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Cholesterol derivative. Forms from bacterial biohydrogenation of cholesterol. Biomarker for vertebrate intestinal microbe populations in vivo.

保管条件

Store at -20°C,Desiccated

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。

等級

Moligand™

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
• IUPAC Name: (3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• InChIKey: QYIXCDOBOSTCEI-NWKZBHTNSA-N
• INCHI: 1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• 異性体SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O)C)C
• 分子量: 388.67
• Reaxy-Rn: 1914455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914455&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Steroids and steroid derivatives
• Subclass: Cholestane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesterols and derivatives
• Alternative Parents: 3-beta-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesterol-skeleton - Cholesterol - 3-beta-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol
• 分子量: 388.700 g/mol
• XLogP3: 9.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 388.371 Da
• Monoisotopic Mass: 388.371 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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