Cholesteryl Linolenate - ≥98% , CAS No.2545-22-4

CAS: 2545-22-4 Cat. No.: C353155 Summenformel: C₄₅H₇₄O₂ Molekulargewicht: 647.07 Beilstein Registry Number: 2230688 EG-Nummer: 219-824-9 PubChem CID: 6436907

GRADE & PURITY ≥98%

Synonyms

Cholesteryl linolenate | Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z,15Z)-9,12,15-octadecatrienoate) | CE 18:3 | Cholest-5-en-3-ol (3.beta.)-, 9,12,15-octadecatrienoate, (Z,Z,Z)- | AKOS040732815 | FYMCIBHUFSIWCE-WVXFKAQASA-N | Cholest-5-en-3-ol (3beta)-, (9Z,1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Cholesterol α-linolenate is a cholesterol ester found in fatty streaks and atherosclerotic plaques isolated from human aorta.

Specifications

Synonyme

Cholesteryl linolenate | Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z,15Z)-9,12,15-octadecatrienoate) | CE 18:3 | Cholest-5-en-3-ol (3.beta.)-, 9,12,15-octadecatrienoate, (Z,Z,Z)- | AKOS040732815 | FYMCIBHUFSIWCE-WVXFKAQASA-N | Cholest-5-en-3-ol (3beta)-, (9Z,1

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Produkteigenschaften

pKa

pKa: -7 (Predicted)

Namen und Kennungen

Kanonisches Lächeln

CCC=CCC=CCC=CCCCCCCCC(=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] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

InChIKey

FYMCIBHUFSIWCE-WVXFKAQASA-N

INCHI

1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

Isomere SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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 Deutschland

3

PubChem CID

6436907

Molekulargewicht

647.07

Beilstein

2230688

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cholesteryl esters
• Alternative Parents: Cholesterols and derivatives Delta-5-steroids Lineolic acids and derivatives 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 - Octadecanoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform: 10 mg/ml
• Brechungsindex: n20D1.52 (Predicted)
• Siedepunkt (°C): 678.92° C at 760 mmHg (Predicted)
• Molekulargewicht: 647.100 g/mol
• XLogP3: 15.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 646.569 Da
• Monoisotopic Mass: 646.569 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1060.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1