Cholesterol 2,4-Dichlorobenzoate - ≥98%(GC) , CAS No.32832-01-2

CAS: 32832-01-2 Cat. No.: C135079 Formula: C₃₄H₄₈Cl₂O₂ Peso molecolare: 559.66 Numero EC: 251-248-3

GRADE & PURITY ≥98%(GC)

Synonyms

Cholest-5-en-3-ol (3beta)-, 2,4-dichlorobenzoate | Cholesteryl 2,4-Dichlorobenzoate | DTXSID301014897 | Q27231561 | Cholesterol 2,4-Dichlorobenzoate | 2,4-Dichlorobenzoic acid cholesteryl ester | CHOLEST-5-EN-3.BETA.-YL 2,4-DICHLOROBENZOATE | CHOLESTERYL

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Cholest-5-en-3-ol (3beta)-, 2,4-dichlorobenzoate | Cholesteryl 2,4-Dichlorobenzoate | DTXSID301014897 | Q27231561 | Cholesterol 2,4-Dichlorobenzoate | 2,4-Dichlorobenzoic acid cholesteryl ester | CHOLEST-5-EN-3.BETA.-YL 2,4-DICHLOROBENZOATE | CHOLESTERYL

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Sorrisi canonici

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)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] 2,4-dichlorobenzoate

InChIKey

NZZFKZMKJPWVDL-XBGNAKIGSA-N

INCHI

1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30+,33+,34-/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=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)C)C

Peso molecolare

559.66

Reaxy-Rn

6989392

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6989392&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: Delta-5-steroids Benzoic acid esters 4-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aryl chlorides Vinylogous halides Carboxylic acid esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Cholesterol - Delta-5-steroid - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic 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: 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

• Peso molecolare: 559.600 g/mol
• XLogP3: 12.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 558.303 Da
• Monoisotopic Mass: 558.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 884.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 32832-01-2, the molecular formula is C34H48Cl2O2, and the molecular weight is 559.66 g/mol. InChIKey NZZFKZMKJPWVDL-XBGNAKIGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.