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(3S,3aS,5aR,6R,9S,9aS,9bS)-3,5a,9-trimethyl-6-methylol-3,3a,4,5,6,9,9a,9b-octahydropyrano[5,4-g]benzofuran-2,8-quinone
SpectraBase Compound ID Gju1ErY2TVp
InChI InChI=1S/C15H22O5/c1-7-9-4-5-15(3)10(6-16)19-14(18)8(2)11(15)12(9)20-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12-,15-/m0/s1
InChIKey KRFOAURDHQSFRY-MTMZTPSQSA-N
Mol Weight 282.34 g/mol
Molecular Formula C15H22O5
Exact Mass 282.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOYdmiThrTi
Name (3S,3aS,5aR,6R,9S,9aS,9bS)-3,5a,9-trimethyl-6-methylol-3,3a,4,5,6,9,9a,9b-octahydropyrano[5,4-g]benzofuran-2,8-quinone
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H22O5
InChI InChI=1S/C15H22O5/c1-7-9-4-5-15(3)10(6-16)19-14(18)8(2)11(15)12(9)20-13(7)17/h7-12,16H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12-,15-/m0/s1
InChIKey KRFOAURDHQSFRY-MTMZTPSQSA-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 282.337 g/mol
Solvent CDCl3
Source File Reference UWSI21871