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3,6,9,17,25-PENTATOSYL-3,6,9,17,25,32,33-OCTATETRACYCLO-[25.3.1.1(11,15).1(19,23)]-TRITRIACONTA-1(31),11(32),12,14,19(33),20,22,27,29-NONAENE
SpectraBase Compound ID HYPuIZAL6lY
InChI InChI=1S/C60H64N8O10S5/c1-45-15-25-56(26-16-45)79(69,70)64-35-37-65(80(71,72)57-27-17-46(2)18-28-57)39-50-9-6-11-52(61-50)41-67(82(75,76)59-31-21-48(4)22-32-59)43-54-13-8-14-55(63-54)44-68(83(77,78)60-33-23-49(5)24-34-60)42-53-12-7-10-51(62-53)40-66(38-36-64)81(73,74)58-29-19-47(3)20-30-58/h6-34H,35-44H2,1-5H3
InChIKey RCVKMEAHULJSPE-UHFFFAOYSA-N
Mol Weight 1217.5 g/mol
Molecular Formula C60H64N8O10S5
Exact Mass 1216.334896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IH1avOdEKKM
Name 3,6,9,17,25-PENTATOSYL-3,6,9,17,25,32,33-OCTATETRACYCLO-[25.3.1.1(11,15).1(19,23)]-TRITRIACONTA-1(31),11(32),12,14,19(33),20,22,27,29-NONAENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H64N8O10S5
InChI InChI=1S/C60H64N8O10S5/c1-45-15-25-56(26-16-45)79(69,70)64-35-37-65(80(71,72)57-27-17-46(2)18-28-57)39-50-9-6-11-52(61-50)41-67(82(75,76)59-31-21-48(4)22-32-59)43-54-13-8-14-55(63-54)44-68(83(77,78)60-33-23-49(5)24-34-60)42-53-12-7-10-51(62-53)40-66(38-36-64)81(73,74)58-29-19-47(3)20-30-58/h6-34H,35-44H2,1-5H3
InChIKey RCVKMEAHULJSPE-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 1217.516 g/mol
Solvent CDCl3
Source File Reference UWCS12587