For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

methanesulfonic acid [(3S,3aS,5aS,6R,9aS,9bS)-5a-(iodomethyl)-2,8-diketo-3-methyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-pyrano[3,4-g]benzofuran-6-yl]methyl ester

View entire compound with spectra: 1 NMR

methanesulfonic acid [(3S,3aS,5aS,6R,9aS,9bS)-5a-(iodomethyl)-2,8-diketo-3-methyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-pyrano[3,4-g]benzofuran-6-yl]methyl ester
SpectraBase Compound ID IRmkaywYSOi
InChI InChI=1S/C16H21IO7S/c1-8-10-4-5-16(7-17)11(6-22-25(3,20)21)23-15(19)9(2)12(16)13(10)24-14(8)18/h8,10-13H,2,4-7H2,1,3H3/t8-,10-,11-,12+,13-,16+/m0/s1
InChIKey MJQHIQPINGSAEK-HZKPPQJMSA-N
Mol Weight 484.3 g/mol
Molecular Formula C16H21IO7S
Exact Mass 484.005269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HOVu9g1DXOl
Name methanesulfonic acid [(3S,3aS,5aS,6R,9aS,9bS)-5a-(iodomethyl)-2,8-diketo-3-methyl-9-methylene-3a,4,5,6,9a,9b-hexahydro-3H-pyrano[3,4-g]benzofuran-6-yl]methyl ester
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21IO7S
InChI InChI=1S/C16H21IO7S/c1-8-10-4-5-16(7-17)11(6-22-25(3,20)21)23-15(19)9(2)12(16)13(10)24-14(8)18/h8,10-13H,2,4-7H2,1,3H3/t8-,10-,11-,12+,13-,16+/m0/s1
InChIKey MJQHIQPINGSAEK-HZKPPQJMSA-N
Literature Reference Author A.F.BARRERO,J.E.OLTRA,M.ALVAREZ,A.ROSALES
Literature Reference Citation J.ORG.CHEM.,67,5461(2002)
Literature Reference DOI 10.1021/jo0256538
Molecular Weight 484.303 g/mol
Solvent CDCl3
Source File Reference UWSI21874