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3,7,11,19,27-PENTATOSYL-3,7,11,19,27,33,34,35-OCTATETRACYCLO-[27.3.1.1(13,17).1(21,25)]-PENTATRIACONTA-1(33),13(34),14,16,21(35),22,24,29,31-NONAENE
SpectraBase Compound ID JxfYAgAIMFv
InChI InChI=1S/C62H68N8O10S5/c1-47-17-27-58(28-18-47)81(71,72)66-37-9-39-67(82(73,74)59-29-19-48(2)20-30-59)41-52-11-6-13-54(63-52)43-69(84(77,78)61-33-23-50(4)24-34-61)45-56-15-8-16-57(65-56)46-70(85(79,80)62-35-25-51(5)26-36-62)44-55-14-7-12-53(64-55)42-68(40-10-38-66)83(75,76)60-31-21-49(3)22-32-60/h6-8,11-36H,9-10,37-46H2,1-5H3
InChIKey YWELUJYPIQRPNZ-UHFFFAOYSA-N
Mol Weight 1245.6 g/mol
Molecular Formula C62H68N8O10S5
Exact Mass 1244.366196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BIb6nvL1Dtz
Name 3,7,11,19,27-PENTATOSYL-3,7,11,19,27,33,34,35-OCTATETRACYCLO-[27.3.1.1(13,17).1(21,25)]-PENTATRIACONTA-1(33),13(34),14,16,21(35),22,24,29,31-NONAENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H68N8O10S5
InChI InChI=1S/C62H68N8O10S5/c1-47-17-27-58(28-18-47)81(71,72)66-37-9-39-67(82(73,74)59-29-19-48(2)20-30-59)41-52-11-6-13-54(63-52)43-69(84(77,78)61-33-23-50(4)24-34-61)45-56-15-8-16-57(65-56)46-70(85(79,80)62-35-25-51(5)26-36-62)44-55-14-7-12-53(64-55)42-68(40-10-38-66)83(75,76)60-31-21-49(3)22-32-60/h6-8,11-36H,9-10,37-46H2,1-5H3
InChIKey YWELUJYPIQRPNZ-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 1245.570 g/mol
Solvent D2O
Source File Reference UWCS12589