Cholesterol Decanoate - ≥95% , CAS No.1183-04-6

CAS: 1183-04-6 Cat. No.: C166248 Formula: C₃₇H₆₄O₂ Peso molecolare: 540.921

GRADE & PURITY ≥95%

Synonyms

16J5BGD5AE | NSC-168210 | CHOLEST-5-EN-3-.BETA.-YL DECANOATE | NS-01124 | Spectrum5_001648 | (3I(2))-cholest-5-en-3-yl decanoate | Cholesteryl n-decanoate, ~95% (HPLC; detection at 205 nm) | C0618 | Cholest-5-en-3-beta-yl decanoate | cholest-5-en-3beta-yl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

16J5BGD5AE | NSC-168210 | CHOLEST-5-EN-3-.BETA.-YL DECANOATE | NS-01124 | Spectrum5_001648 | (3I(2))-cholest-5-en-3-yl decanoate | Cholesteryl n-decanoate, ~95% (HPLC; detection at 205 nm) | C0618 | Cholest-5-en-3-beta-yl decanoate | cholest-5-en-3beta-yl

Specifiche e purezza

≥95%

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

≥95%

Nomi e identificatori

Pubchem Sid

504765220

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765220

Sorrisi canonici

CCCCCCCCCC(=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] decanoate

InChIKey

LJGMGXXCKVFFIS-IATSNXCDSA-N

INCHI

1S/C37H64O2/c1-7-8-9-10-11-12-13-17-35(38)39-30-22-24-36(5)29(26-30)18-19-31-33-21-20-32(28(4)16-14-15-27(2)3)37(33,6)25-23-34(31)36/h18,27-28,30-34H,7-17,19-26H2,1-6H3/t28-,30+,31+,32-,33+,34+,36+,37-/m1/s1

Isomeri SMILES

CCCCCCCCCC(=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

Peso molecolare

540.921

Reaxy-Rn

1917517

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1917517&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: This compound belongs to the class of organic compounds known as cholesteryl esters. These are compounds containing an esterified cholestane moiety.
• External Descriptors: Not available

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

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly), Methanol (Slightly)
• Indice di rifrazione: -29°(C=2,CHCl3)
• Punto di fusione (°C): 81-84°C
• Peso molecolare: 540.900 g/mol
• XLogP3: 13.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 540.491 Da
• Monoisotopic Mass: 540.491 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 812.000
• 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