41059-80-7

Basic information

• Product Name: (1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one
• Synonyms: (1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one;Lipiferolide;Oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one,7-(acetyloxy)-2,3,6,7,7a,8,10a,10b-octahydro- 1a,5-diMethyl-8-Methylene-,[1aR-(1aR*,4E,- 7R*,7aR*,10aS*,10bS*)]-
• CAS NO: 41059-80-7
• Molecular Formula: C17H22O5
• Molecular Weight: 306.3536
• Mol File: 41059-80-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 444.8°Cat760mmHg
• Flash Point: 196.3°C
• Appearance: /
• Density: 1.19g/cm³
• Vapor Pressure: 4.16E-08mmHg at 25°C
• Refractive Index: 1.531
• CAS DataBase Reference: (1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one(41059-80-7)
• EPA Substance Registry System: (1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one(41059-80-7)

Safety Data

• Hazardous Substances Data: 41059-80-7(Hazardous Substances Data)

Usage

General Description

The chemical compound "(1aR,4E,7R,7aR,10aS,10bR)-7-Acetoxy-2,3,6,7,7a,8,10a,10b-octahydro-1a,5-dimethyl-8-methyleneoxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one" is a complex organic molecule with a fused-ring structure. It contains an acetoxy group and a cyclic ether functional group, as well as multiple methyl and methylene groups. The compound is a derivative of the natural organic compound oxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one, and its structure suggests potential biological activity and pharmaceutical applications. The chemical's stereochemistry and functional groups may make it suitable for further study in drug discovery and synthetic organic chemistry.

InChI:InChI=1/C17H22O5/c1-9-6-5-7-17(4)15(22-17)14-13(10(2)16(19)21-14)12(8-9)20-11(3)18/h6,12-15H,2,5,7-8H2,1,3-4H3/b9-6+/t12-,13-,14+,15?,17-/m1/s1

Upstream product

• 156856-33-6 deacetyllipiferolide 
• 108-24-7 acetic anhydride 

Downstream Products

• 24164-13-4 epitulipinolide 
• 87308-18-7 α-cyclolipiferolide 
• 87282-38-0 Acetic acid (3aR,4R,6S,8aR)-6-methyl-3-methylene-2-oxo-7-(3-oxo-butyl)-3,3a,4,5,6,8a-hexahydro-2H-cyclohepta[b]furan-4-yl ester 
• 87282-36-8 Acetic acid (E)-(3aR,4R,11S,11aS)-10-fluoro-11-hydroxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester 

Relevant articles and documents

Sesquiterpene lactones and thymol esters from Vicoa pentanema

The aerial parts of Vicoa pentanema yielded four new sesquiterpene lactones, namely, 10a-hydroxy- 14H-inuviscolide (1), 4α,5α-epoxy- 10α,11β,13H, 14H-1 -epi-inuviscolide 3-β-D-glucoside (2), 2α-O-acetyl- 3β-hydroxyalantolactone (3), and 2α,3α-dihydroxyalloalantolactone (4). The structure and stereochemical assignments of all sesquiterpenes were based on their 1H and 13C-NMR spectral data, including those derived from 2D-NMR COSY, HETCOR, FLOCK, and NOESY experiments, as well as extensive NOE- difference studies. In addition, the same plant material yielded the known sesquiterpene lactones 8β-hydroxyparthenolide (5), 8-epi-confertin (6), 4α,5α-epoxy-10α,14H-1-epi-inuviscolide (7), inuviscolide (8), lipiferolide (9), and carabrone (10), the known thymol ester 7,8-epoxy-9- (isobutyryloxy)thymolisobutyrate (11), and its hydrolysis product 7-hydroxy- 8,9-bis(isobutyryloxy)thymol (12).