Squalene 2,3:22,23-Dioxide - ≥98% , CAS No.31063-19-1

CAS: 31063-19-1 Cat. No.: S334425 Molecular Weight: 442.72 PubChem CID: 6440985

GRADE & PURITY ≥98%

Synonyms

2,3,22,23-Dioxidosqualene | BDBM50280128 | 3-[18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyl-(3E,7E,11E,15E)-3,7,11,15-octadecatetraenyl]-2,2-dimethyloxirane | dioxidosqualene | Squalene 2,3:22,23-Dioxide | Squalene 2,3,22,23-dioxide | 3-[(3E,7E,11E,1

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Squalene 2,3:22,23-Dioxide is a substrate for oxidosqualene cyclase forming 24,25-oxidolanosterol. In Chinese hamster ovary cells, Squalene 2,3:22,23-Dioxide accumulates during cholesterol biosynthesis inhibition.

Specifications

Synonyms

2, 3, 22, 23-Dioxidosqualene | BDBM50280128 | 3-[18-(3, 3-dimethyl-2-oxiranyl)-3, 7, 12, 16-tetramethyl-(3E, 7E, 11E, 15E)-3, 7, 11, 15-octadecatetraenyl]-2, 2-dimethyloxirane | dioxidosqualene | Squalene 2, 3:22, 23-Dioxide | Squalene 2, 3, 22, 23-dioxide | 3-[(3E, 7E, 11E, 1

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764193
• Canonical Smiles: CC(=CCCC=C(C)CCC=C(C)CCC1C(O1)(C)C)CCC=C(C)CCC2C(O2)(C)C
• IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
• InChIKey: KABSNIWLJXCBGG-TXLDAEQNSA-N
• INCHI: 1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+
• Isomeric SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
• PubChem CID: 6440985
• Molecular Weight: 442.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Triterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Triterpenoids
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Triterpenoid - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
• Sensitivity: Light sensitive
• Molecular Weight: 442.700 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 442.381 Da
• Monoisotopic Mass: 442.381 Da
• Topological Polar Surface Area: 25.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1