Isolinderalactone - ≥98%(HPLC) , CAS No.728-61-0

CAS: 728-61-0 Cat. No.: I304490 Molecular Weight: 244.29

GRADE & PURITY ≥98%(HPLC)

Synonyms

(R,7Z,10E)-3,11-dimethyl-4,8,9,12-tetrahydro-6H-4,7-(metheno)furo[3,2-c][1]oxacycloundecin-6-one | AC-34847 | Linderalactone | AKOS015897170 | (1R,8E)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0?,?]pentadeca-2(6),3,8,12(15)-tetraen-13-one | HY-N0781 | LWCKQM

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(R, 7Z, 10E)-3, 11-dimethyl-4, 8, 9, 12-tetrahydro-6H-4, 7-(metheno)furo[3, 2-c][1]oxacycloundecin-6-one | AC-34847 | Linderalactone | AKOS015897170 | (1R, 8E)-3, 8-dimethyl-5, 14-dioxatricyclo[10.2.1.0?, ?]pentadeca-2(6), 3, 8, 12(15)-tetraen-13-one | HY-N0781 | LWCKQM

Specifications & Purity

≥98%(HPLC)

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504764204
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764204
• Canonical Smiles: CC1=CCCC2=CC(C3=C(C1)OC=C3C)OC2=O
• IUPAC Name: (1R,8E)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
• InChIKey: LWCKQMHMTSRRAA-QGQQYVBWSA-N
• INCHI: 1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/b9-4+/t13-/m1/s1
• Isomeric SMILES: C/C/1=C\CCC2=C[C@H](C3=C(C1)OC=C3C)OC2=O
• Molecular Weight: 244.29
• Reaxy-Rn: 1348541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1348541&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Heteroaromatic compounds Furans Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-furanone - Furan - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
• External Descriptors: butenolide

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

• Sensitivity: Light sensitive
• Molecular Weight: 244.280 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 244.11 Da
• Monoisotopic Mass: 244.11 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1