85847-70-7

Basic information

• Product Name: Acetic acid (E)-(3aR,4R,9S,11aS)-9-hydroperoxy-6-methyl-3,10-dimethylene-2-oxo-2,3,3a,4,7,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester
• Synonyms: Acetic acid (E)-(3aR,4R,9S,11aS)-9-hydroperoxy-6-methyl-3,10-dimethylene-2-oxo-2,3,3a,4,7,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester
• CAS NO: 85847-70-7
• Molecular Weight: 322.358
• Mol File: 85847-70-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Acetic acid (E)-(3aR,4R,9S,11aS)-9-hydroperoxy-6-methyl-3,10-dimethylene-2-oxo-2,3,3a,4,7,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid (E)-(3aR,4R,9S,11aS)-9-hydroperoxy-6-methyl-3,10-dimethylene-2-oxo-2,3,3a,4,7,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester(85847-70-7)
• EPA Substance Registry System: Acetic acid (E)-(3aR,4R,9S,11aS)-9-hydroperoxy-6-methyl-3,10-dimethylene-2-oxo-2,3,3a,4,7,8,9,10,11,11a-decahydro-cyclodeca[b]furan-4-yl ester(85847-70-7)

Safety Data

• Hazardous Substances Data: 85847-70-7(Hazardous Substances Data)

Upstream product

• 35001-25-3 laurenobiolide 

Downstream Products

• 34226-88-5 chrysanolide 

Relevant articles and documents

Biogenetic-type Synthesis of Santonin, Chrysanolide, Dihydrochrysanolide, Tulirinol, Arbusculin-C, Tanacetin, and Artemin

The title compounds were synthsised from their possible biogenetic precursors through hydroperoxide intermediates generated by photo-oxygenation.This route for biological oxygenation may serve as a substitute to epoxidation.The 13C n.m.r. special assignments for all intermediates were made.Single-crystal X-ray analyses unequivocally established the 1S configuration in dihydrochrysanolide (14) and its hydroperoxy-analogue (12).Isomorphous crystals of (12) and (14) belong to the monoclinic system, space group P21, with a = 14.350(6), b = 5.882(3), c = 10.343(3) Angstroem, β = 107.64(2) deg, Z = 2, for (12), and a = 14.461(6), b = 5.887(3), c = 9.698(4) Angstroem, β = 107.44(2) deg, Z = 2, for (14).Least-squares refinement of atomic parameters converged to R 0.040 for (12) and 0.033 for (14) over 1484 and 1300 reflections, respectively, measured by diffractometer.