Cholesterol Hexyl Carbonate - AR , CAS No.15455-80-8

CAS: 15455-80-8 Cat. No.: C347803 Formula: C₃₄H₅₈O₃ Peso molecolare: 514.84 PubChem CID: 44630196

GRADE & PURITY AR

Synonyms

cholesterol n-hexyl carbonate | [(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] hexyl carbonate | AKOS015840203 | MFCD00059504 | (3beta)-Cholest-5-en-3-yl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

cholesterol n-hexyl carbonate | [(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] hexyl carbonate | AKOS015840203 | MFCD00059504 | (3beta)-Cholest-5-en-3-yl

Specifiche e purezza

AR

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

AR

Nomi e identificatori

Pubchem Sid

504770433

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770433

Sorrisi canonici

CCCCCCOC(=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] hexyl carbonate

InChIKey

FKPRFOWGXDAFNL-DYQRUOQXSA-N

INCHI

1S/C34H58O3/c1-7-8-9-10-22-36-32(35)37-27-18-20-33(5)26(23-27)14-15-28-30-17-16-29(25(4)13-11-12-24(2)3)34(30,6)21-19-31(28)33/h14,24-25,27-31H,7-13,15-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,33+,34-/m1/s1

Isomeri SMILES

CCCCCCOC(=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

PubChem CID

44630196

Peso molecolare

514.84

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 Carbonic acid diesters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cholesterol - Delta-5-steroid - Carbonic acid diester - Carbonic 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 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

• Rotazione specifica [α]: [α]D -31° (C=2,CHCl3)
• Punto di fusione (°C): 107 °C
• Peso molecolare: 514.799 g/mol
• XLogP3: 11.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 514.439 Da
• Monoisotopic Mass: 514.439 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 786.000
• 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

What does AR mean?

AR is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. AR is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 15455-80-8, the molecular formula is C34H58O3, and the molecular weight is 514.84 g/mol. InChIKey FKPRFOWGXDAFNL-DYQRUOQXSA-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.