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1;MOLLAMIDE;(2S,8S,11S,14S,17S,23S,26S)-8-BENZYL-11-(1,1-DIMETHYLPROP-2-ENYLOXYETHYL)-14,23-DI-[(1S)-METHYLPROPYL]-28-THIA-6,9,12,15,21,24,29-HEPTAAZATETRACYCL
SpectraBase Compound ID KrOmoSYr6pt
InChI InChI=1S/C42H61N7O7S/c1-8-25(4)33-38(53)44-29(23-56-42(6,7)10-3)35(50)43-28(22-27-16-12-11-13-17-27)40(54)49-21-15-19-32(49)39-45-30(24-57-39)36(51)47-34(26(5)9-2)41(55)48-20-14-18-31(48)37(52)46-33/h10-13,16-17,25-26,28-34H,3,8-9,14-15,18-24H2,1-2,4-7H3,(H,43,50)(H,44,53)(H,46,52)(H,47,51)/t25-,26-,28-,29-,30-,31-,32+,33-,34-/m0/s1
InChIKey WOJHPNQVQSSJML-SPAUHXLCSA-N
Mol Weight 808.1 g/mol
Molecular Formula C42H61N7O7S
Exact Mass 807.435318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1LP61JvfX6B
Name 1;MOLLAMIDE;(2S,8S,11S,14S,17S,23S,26S)-8-BENZYL-11-(1,1-DIMETHYLPROP-2-ENYLOXYETHYL)-14,23-DI-[(1S)-METHYLPROPYL]-28-THIA-6,9,12,15,21,24,29-HEPTAAZATETRACYCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H61N7O7S
InChI InChI=1S/C42H61N7O7S/c1-8-25(4)33-38(53)44-29(23-56-42(6,7)10-3)35(50)43-28(22-27-16-12-11-13-17-27)40(54)49-21-15-19-32(49)39-45-30(24-57-39)36(51)47-34(26(5)9-2)41(55)48-20-14-18-31(48)37(52)46-33/h10-13,16-17,25-26,28-34H,3,8-9,14-15,18-24H2,1-2,4-7H3,(H,43,50)(H,44,53)(H,46,52)(H,47,51)/t25-,26-,28-,29-,30-,31-,32+,33-,34-/m0/s1
InChIKey WOJHPNQVQSSJML-SPAUHXLCSA-N
Literature Reference Author A.R.CARROLL,B.F.BOWDEN,J.C.COLL,D.C.R.HOCKLESS,B.W.SKELTON,A .H.WHITE
Literature Reference Citation AUSTR.J.CHEM.,47,61(1994)
Literature Reference DOI 10.1071/ch9940061
Molecular Weight 808.049 g/mol
Solvent CDCl3
Source File Reference UWVP5784