130695-59-9

Basic information

• Product Name: (1S,2R,3R,4S,6E,10R)-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate
• CAS NO: 130695-59-9
• Molecular Formula: C₁₉H₃₀O₅
• Molecular Weight: 338.4385
• Mol File: 130695-59-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 398.9°C at 760 mmHg
• Flash Point: 170.1°C
• Density: 1.08g/cm³
• Vapor Pressure: 1.43E-06mmHg at 25°C
• Refractive Index: 1.493
• CAS DataBase Reference: (1S,2R,3R,4S,6E,10R)-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: (1S,2R,3R,4S,6E,10R)-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate(130695-59-9)
• EPA Substance Registry System: (1S,2R,3R,4S,6E,10R)-6,10-dimethyl-3-(1-methylethyl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate(130695-59-9)

Safety Data

• Hazardous Substances Data: 130695-59-9(Hazardous Substances Data)

Upstream product

• 20071-60-7 Shiromodiol 
• 108-24-7 acetic anhydride 
• 98941-64-1 shiromodiol-6-O-acetate-8-O-angelate 

Relevant articles and documents

Structural and Conformational Studies on Sesquiterpenoid Esters from Laserpitium halleri Crantz subsp. halleri

Investigation of the ripe fruits of Laserpitium halleri Crantz subsp. halleri afforded two pairs of new germacrane and guaiane esters, as well as the daucane derivative vaginatin, whose stereochemistry was assessed by spectral data and correlation with a compound of known configuration.The 1H and 13C n.m.r. spectra of the germacrane esters were characterized by the presence of sharp and broad signals.A conformational study of the natural compounds and several derivatives allowed us to relate the broadening of the n.m.r. lines to conformational motions which are discussed in detail.Among the derivatives of the natural esters, the ketone (8) was found to adopt, in solution, a conformation hitherto unreported for germacrane derivatives .Comparison of the spectral features of some crossed/boat germacra-1(10),4-dienes and their corresponding 4,5-epoxides suggests that homoconjugation plays an important role in stabilizing the crossed/boat conformation of this class of cyclic 1,5-dienes.The biogenetic relationship between the compounds cumulated in the roots and the fruits of L. halleri is discussed.