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(1S*,3R*,7R*,9S*,14R*)-7-METHYL-3-PENTYL-2,8,13-TRIOXATRICYCLO-[8.5.0.0(9,14)]-PENTADEC-10-ENE-12-ONE
SpectraBase Compound ID Ci9pytb71N0
InChI InChI=1S/C18H28O4/c1-3-4-5-7-13-8-6-11-18(2)16(20-13)12-15-14(22-18)9-10-17(19)21-15/h9-10,13-16H,3-8,11-12H2,1-2H3/t13-,14+,15-,16+,18-/m1/s1
InChIKey MJMNQLNCDWOTDL-RIUYPTKQSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGvVHTO3wws
Name (1S*,3R*,7R*,9S*,14R*)-7-METHYL-3-PENTYL-2,8,13-TRIOXATRICYCLO-[8.5.0.0(9,14)]-PENTADEC-10-ENE-12-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-3-4-5-7-13-8-6-11-18(2)16(20-13)12-15-14(22-18)9-10-17(19)21-15/h9-10,13-16H,3-8,11-12H2,1-2H3/t13-,14+,15-,16+,18-/m1/s1
InChIKey MJMNQLNCDWOTDL-RIUYPTKQSA-N
Literature Reference Author C.CRAWFORD,A.NELSON,I.PATEL
Literature Reference Citation ORG.LETTERS,8,4231(2006)
Literature Reference DOI 10.1021/ol0614323
Molecular Weight 308.418 g/mol
Sample ID 61459
Solvent CDCl3