Cholesteryl chloride - ≥95%(HPLC) , CAS No.910-31-6

CAS: 910-31-6 Cat. No.: C130001 Formula: C₂₇H₄₅Cl Peso molecolare: 405.11 Beilstein Registry Number: 2703655 Numero EC: 213-004-4

GRADE & PURITY ≥95%(HPLC)

Synonyms

3-beta-Chlorocholest-5-ene | Cholesteryl chloride, 97% | 3.beta.-Chlorocholest-5-ene | AKOS025310592 | Cholest-5-ene, 3beta-chloro | Cholest-5-ene, 3beta-chloro- | (+)-Prostaglandin A(sup 2) | Cholest-5-ene, 3-chloro-, (3beta)- | MFCD00003632 | Q5104323 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

3-beta-Chlorocholest-5-ene | Cholesteryl chloride, 97% | 3.beta.-Chlorocholest-5-ene | AKOS025310592 | Cholest-5-ene, 3beta-chloro | Cholest-5-ene, 3beta-chloro- | (+)-Prostaglandin A(sup 2) | Cholest-5-ene, 3-chloro-, (3beta)- | MFCD00003632 | Q5104323 |

Specifiche e purezza

≥95%(HPLC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%(HPLC)

Nomi e identificatori

Pubchem Sid

488186728

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186728

Sorrisi canonici

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Cl)C)C

IUPAC Name

(3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthrene

InChIKey

OTVRYZXVVMZHHW-DPAQBDIFSA-N

INCHI

1S/C27H45Cl/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,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=C4[C@@]3(CC[C@@H](C4)Cl)C)C

WGK Germania

3

Peso molecolare

405.11

Beilstein

2703655

Reaxy-Rn

1915890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915890&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: Cholestane steroids
• Alternative Parents: Halogenated steroids Delta-5-steroids Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholestane-skeleton - Halo-steroid - 3-halo-steroid - Delta-5-steroid - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
• 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

• Rotazione specifica [α]: -24.0 to -28.0 deg(C=1, Toluene)
• Punto di fusione (°C): 94-96°C
• Peso molecolare: 405.100 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 404.321 Da
• Monoisotopic Mass: 404.321 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 591.000
• 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.

How is this product shipped?

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

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

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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

The CAS Number is 910-31-6, the molecular formula is C27H45Cl, and the molecular weight is 405.11 g/mol. InChIKey OTVRYZXVVMZHHW-DPAQBDIFSA-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.