5α-cholestan-3β-ol - ≥95% , CAS No.80-97-7

CAS: 80-97-7 Cat. No.: C639901 Formula: C₂₇H₄₈O Peso molecolare: 388.669 Beilstein Registry Number: 2418594 Numero EC: 201-315-8

QUALITÀ & PUREZZA ≥95%

Synonyms

1814DD66-70FE-4610-86FB-FA8455101768 | NSC-18188 | 5a-Dihydrocholesterol | HY-107819 | 3beta-Hydroxy-5alpha-cholestane | SCHEMBL133951 | 8M308U816E | Dihydrocholesterol | 3b-Hydroxy-5a-cholestane | AS-58118 | Cholestan-3-ol, (3.beta.)- # | NSC 18188 | (+)

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

It was used as a standard in lipid analysis using HPLC.

Specifiche

Sinonimi

1814DD66-70FE-4610-86FB-FA8455101768 | NSC-18188 | 5a-Dihydrocholesterol | HY-107819 | 3beta-Hydroxy-5alpha-cholestane | SCHEMBL133951 | 8M308U816E | Dihydrocholesterol | 3b-Hydroxy-5a-cholestane | AS-58118 | Cholestan-3-ol, (3.beta.)- # | NSC 18188 | (+)

Specifiche e purezza

≥95%

Meccanismi biochimici e fisiologici

It is derived from cholesterol by the action of intestinal microorganisms.It is known to induce the formation of gall stones in rabbits in the presence of sodium ions.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

528762069

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528762069

Sorrisi canonici

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

IUPAC Name

(3S,5S,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-QCYZZNICSA-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

Isomeri 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

WGK Germania

3

Peso molecolare

388.669

Beilstein

2418594

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
    • Classe Steroids and steroid derivatives
      • Subclass Cholestane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

POLA1 Tclin DNA polymerase alpha subunit (225 Activities)

Discover Target: POLA1

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POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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Obiettivi associati (non umani)

Top2 DNA topoisomerase II (15 Activities)

Discover Target: Top2

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Punto di congelamento (°C): 24° (C=1,Dioxane)
• Punto di fusione (°C): 140 °C
• Peso molecolare: 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