7α,27-dihydroxycholesterol - ≥99% , CAS No.4725-24-0

CAS: 4725-24-0 Cat. No.: D130180 Formula: C₂₇H₄₆O₃ Peso molecolare: 418.652

QUALITÀ & PUREZZA ≥99%

Synonyms

7alpha,27-dihydroxycholesterol|4725-24-0|7alpha,26-dihydroxycholesterol|Cholest-5-ene-3beta,7alpha,26-triol|Cholest-5-ene-3,7,27-triol|5-Cholestene-3beta,7alpha,26-triol|cholest-5-ene-3beta,7alpha,27-triol|CHEMBL4788277|(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

7alpha,27-dihydroxycholesterol | 4725-24-0 | 7alpha,26-dihydroxycholesterol | Cholest-5-ene-3beta,7alpha,26-triol | Cholest-5-ene-3,7,27-triol | 5-Cholestene-3beta,7alpha,26-triol | cholest-5-ene-3beta,7alpha,27-triol | CHEMBL4788277 | (3S,7S,8S,9S,10R,13R,14S,17R)-17-[(

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

CC(CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)CO

IUPAC Name

(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

InChIKey

RXMHNAKZMGJANZ-DTTSCKGMSA-N

INCHI

1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3/t17?,18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1

Isomeri SMILES

C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C

Peso molecolare

418.652

Reaxy-Rn

6374535

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6374535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Bile acids, alcohols and derivatives
        • Level5 Hydroxy bile acids, alcohols and derivatives
          • Level6 Trihydroxy bile acids, alcohols and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Bile acids, alcohols and derivatives
• Intermediate Tree Nodes: Hydroxy bile acids, alcohols and derivatives
• Direct Parent: Trihydroxy bile acids, alcohols and derivatives
• Alternative Parents: 7-hydroxysteroids 3-beta-hydroxysteroids 3-beta-hydroxy delta-5-steroids Delta-5-steroids Fatty alcohols Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: 26-hydroxysteroid - Trihydroxy bile acid, alcohol, or derivatives - 3-hydroxy-delta-5-steroid - 3-hydroxysteroid - 7-hydroxysteroid - 3-beta-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Hydroxysteroid - Delta-5-steroid - Fatty alcohol - Fatty acyl - Cyclic alcohol - Secondary alcohol - Primary alcohol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as trihydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears three hydroxyl groups.
• External Descriptors: C27 bile acids, alcohols, 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)

GPR183 Tchem G-protein coupled receptor 183 (1 Activities)

Discover Target: GPR183

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 418.700 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 418.345 Da
• Monoisotopic Mass: 418.345 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 644.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1