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#8;ETHYL-[(1''S,2''R,4''R)-N,N-DIISOPROPYLBORNAN-10''-SULFONAMIDE-2''-YL]-2-[(1'-ALPHA-ETHYL-1',2',3',4',6',7',12',12B'-ALPHA-OCTAHYDROINDOLO-[2',3'-A]-QUINOLIZIN-
SpectraBase Compound ID 7J7ZvVlh5XL
InChI InChI=1S/C39H59N3O6S/c1-9-38(18-13-20-41-21-17-29-28-14-11-12-15-31(28)40-33(29)34(38)41)23-30(35(43)47-10-2)36(44)48-32-22-27-16-19-39(32,37(27,7)8)24-49(45,46)42(25(3)4)26(5)6/h11-12,14-15,25-27,30,32,34,40H,9-10,13,16-24H2,1-8H3/t27-,30?,32-,34-,38+,39-/m1/s1
InChIKey SKOMNXIAHMZXJV-AOLXHMHBSA-N
Mol Weight 698.0 g/mol
Molecular Formula C39H59N3O6S
Exact Mass 697.412458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Gm5CdYiEu3
Name #8;ETHYL-[(1''S,2''R,4''R)-N,N-DIISOPROPYLBORNAN-10''-SULFONAMIDE-2''-YL]-2-[(1'-ALPHA-ETHYL-1',2',3',4',6',7',12',12B'-ALPHA-OCTAHYDROINDOLO-[2',3'-A]-QUINOLIZIN-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H59N3O6S
InChI InChI=1S/C39H59N3O6S/c1-9-38(18-13-20-41-21-17-29-28-14-11-12-15-31(28)40-33(29)34(38)41)23-30(35(43)47-10-2)36(44)48-32-22-27-16-19-39(32,37(27,7)8)24-49(45,46)42(25(3)4)26(5)6/h11-12,14-15,25-27,30,32,34,40H,9-10,13,16-24H2,1-8H3/t27-,30?,32-,34-,38+,39-/m1/s1
InChIKey SKOMNXIAHMZXJV-AOLXHMHBSA-N
Literature Reference Author T.NAGY,L.SZABO,G.KALAUS,C.SZANTAY
Literature Reference Citation HETEROCYCLES,45,2007(1997)
Literature Reference DOI 10.3987/COM-97-7884
Molecular Weight 697.974 g/mol
Solvent CDCl3
Source File Reference UWCP5726