Furanodienon - Moligand™,≥99% , CAS No.24268-41-5

CAS: 24268-41-5 Cat. No.: F1315834 Molecular Weight: 230.30

GRADE & PURITY Moligand™, ≥99%

Synonyms

(5E,9E)-3,6,10-Trimethyl-7,8-dihydrocyclodeca[b]furan-4(11H)-one

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Furanodienone induced apoptosis.

Specifications

Synonyms

(5E, 9E)-3, 6, 10-Trimethyl-7, 8-dihydrocyclodeca[b]furan-4(11H)-one

Specifications & Purity

Moligand™, ≥99%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)C2=C(CC(=CCC1)C)OC=C2C
• IUPAC Name: (5Z,9Z)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
• InChIKey: XVOHELPNOXGRBQ-LXQMTTSMSA-N
• INCHI: 1S/C15H18O2/c1-10-5-4-6-11(2)8-14-15(13(16)7-10)12(3)9-17-14/h6-7,9H,4-5,8H2,1-3H3/b10-7-,11-6-
• Isomeric SMILES: C/C/1=C/C(=O)C2=C(C/C(=C\CC1)/C)OC=C2C
• Alternate CAS: 24268-41-5
• MeSH Entry Terms: furanodienone
• Molecular Weight: 230.30

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Germacrane sesquiterpenoids
• Alternative Parents: Aryl ketones Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Germacrane sesquiterpenoid - Aryl ketone - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups.
• 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

Chemical and Physical Properties

• Molecular Weight: 230.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 230.131 Da
• Monoisotopic Mass: 230.131 Da
• Topological Polar Surface Area: 30.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1