Isolinderalactone - 10mM in DMSO , CAS No.728-61-0

CAS: 728-61-0 Cat. No.: I425691 Fórmula: C₁₅H₁₆O₃ Peso molecular: 244.29

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

(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

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528771720

Sorrisos canónicos

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

SMILES isoméricas

C/C/1=C\CCC2=C[C@H](C3=C(C1)OC=C3C)OC2=O

Peso molecular

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
    • Classe Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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