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3,9,12,15,21-PENTATOSYL-3,9,12,15,21,27-HEXAAZA-6,18-DIOXA-BICYCLO-[21.3.1]-HEPTAICOSA-1(27),23,25-TRIENE
SpectraBase Compound ID HinsXFvagDL
InChI InChI=1S/C54H66N6O12S5/c1-43-9-19-50(20-10-43)73(61,62)56-29-31-57(74(63,64)51-21-11-44(2)12-22-51)33-37-71-39-35-59(76(67,68)53-25-15-46(4)16-26-53)41-48-7-6-8-49(55-48)42-60(77(69,70)54-27-17-47(5)18-28-54)36-40-72-38-34-58(32-30-56)75(65,66)52-23-13-45(3)14-24-52/h6-28H,29-42H2,1-5H3
InChIKey HEYVRQYFCHVBCJ-UHFFFAOYSA-N
Mol Weight 1151.5 g/mol
Molecular Formula C54H66N6O12S5
Exact Mass 1150.334227 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BqXFzZpi33r
Name 3,9,12,15,21-PENTATOSYL-3,9,12,15,21,27-HEXAAZA-6,18-DIOXA-BICYCLO-[21.3.1]-HEPTAICOSA-1(27),23,25-TRIENE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H66N6O12S5
InChI InChI=1S/C54H66N6O12S5/c1-43-9-19-50(20-10-43)73(61,62)56-29-31-57(74(63,64)51-21-11-44(2)12-22-51)33-37-71-39-35-59(76(67,68)53-25-15-46(4)16-26-53)41-48-7-6-8-49(55-48)42-60(77(69,70)54-27-17-47(5)18-28-54)36-40-72-38-34-58(32-30-56)75(65,66)52-23-13-45(3)14-24-52/h6-28H,29-42H2,1-5H3
InChIKey HEYVRQYFCHVBCJ-UHFFFAOYSA-N
Literature Reference Author M.W.HOSSEINI,J.COMARMOND,J.M.LEHN
Literature Reference Citation HELV.CHIM.ACTA,72,1066(1989)
Literature Reference DOI 10.1002/hlca.19890720525
Molecular Weight 1151.451 g/mol
Solvent CDCl3
Source File Reference UWCS12573