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(+/-)-(1S*,3R*,4S*,5S*,7S*,8R*,9S*,10R*,12R*)-{4,5,7-TRICHLOR-3-ETHOXY-12-ISOPROPYL-6,6-DIMETHOXY-9-METHYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODEC-10-YL}-
SpectraBase Compound ID Ca96fn3UJSZ
InChI InChI=1S/C20H31Cl3O7S/c1-8-28-19-15(21)18(23)16(4)12(30-31(7,24)25)9-11(10(2)3)13(29-19)14(16)17(19,22)20(18,26-5)27-6/h10-15H,8-9H2,1-7H3/t11-,12?,13?,14+,15+,16-,17+,18+,19-/m0/s1
InChIKey UBVCEEXTMXPRTM-LBKFPCBISA-N
Mol Weight 521.88 g/mol
Molecular Formula C20H31Cl3O7S
Exact Mass 520.085608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFolp1zaWfF
Name (+/-)-(1S*,3R*,4S*,5S*,7S*,8R*,9S*,10R*,12R*)-{4,5,7-TRICHLOR-3-ETHOXY-12-ISOPROPYL-6,6-DIMETHOXY-9-METHYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODEC-10-YL}-
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Formula C20H31Cl3O7S
InChI InChI=1S/C20H31Cl3O7S/c1-8-28-19-15(21)18(23)16(4)12(30-31(7,24)25)9-11(10(2)3)13(29-19)14(16)17(19,22)20(18,26-5)27-6/h10-15H,8-9H2,1-7H3/t11-,12?,13?,14+,15+,16-,17+,18+,19-/m0/s1
InChIKey UBVCEEXTMXPRTM-LBKFPCBISA-N
Literature Reference Author W.D.AICHBERGER,J.AIGNER,E.GOESSINGER,K.GRUBER,G.MENZ
Literature Reference Citation MH.CHEM.,125,991(1994)
Literature Reference DOI 10.1007/BF00812715
Molecular Weight 521.881 g/mol
Solvent CDCl3
Source File Reference UWPR1810