61187-44-8

Basic information

• Product Name: 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diyl diacetate
• CAS NO: 61187-44-8
• Molecular Formula: C₂₅H₃₄O₄
• Molecular Weight: 398.5351
• Mol File: 61187-44-8.mol

Chemical Properties

• Boiling Point: 470°C at 760 mmHg
• Flash Point: 224.5°C
• Density: 1.058g/cm³
• Vapor Pressure: 5.24E-09mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diyl diacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diyl diacetate(61187-44-8)
• EPA Substance Registry System: 2-{[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diyl diacetate(61187-44-8)

Safety Data

• Hazardous Substances Data: 61187-44-8(Hazardous Substances Data)

Upstream product

• 55303-98-5 avarol 
• 108-24-7 acetic anhydride 
• 55303-98-5 Avarol 

Relevant articles and documents

Sesquiterpene Hydroquinones with Protein Tyrosine Phosphatase 1B Inhibitory Activities from a Dysidea sp. Marine Sponge Collected in Okinawa

Three new sesquiterpene hydroquinones, avapyran (1), 17-O-acetylavarol (2), and 17-O-acetylneoavarol (3), were isolated from a Dysidea sp. marine sponge collected in Okinawa together with five known congeners: avarol (4), neoavarol (5), 20-O-acetylavarol (6), 20-O-acetylneoavarol (7), and 3′-aminoavarone (8). The structures of 1-3 were assigned on the basis of their spectroscopic data. Compounds 1-3 inhibited the activity of protein tyrosine phosphatase 1B with IC50 values of 11, 9.5, and 6.5 μM, respectively, while known compounds 4-8 gave IC50 values of 12, >32, 10, 8.6, and 18 μM, respectively. In a preliminary investigation on structure-activity relationships, six ester and methoxy derivatives (9-14) were prepared from 4 and 5.

Further bioactive derivative of avarol from Dysidea avara

A new bioactive derivative of avarol, 6'-hydroxy,5'-acetyl-avarol (3), has been isolated from the marine sponge Dysidea avara and characterized mainly by spectral analysis. Its biological activities are also reported. The occurrance of diacetyl-avarol (1b) as natural metabolite is reported.