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#29;OCTYL-2-ACETAMIDO-2,6,7,8-TETRADEOXY-3,4-O-[(1'S,2'S)-DIMETHOXYCYCLOHEXYLIDENE]-8-[(2''R,3''R,4''S,5''R)-3'',4''-DIBENZYLOXY-2'',5''-DIBENZYLOXYMETHYL-PYRRO
SpectraBase Compound ID DOx92DDKuMU
InChI InChI=1S/C60H82N2O11/c1-5-6-7-8-9-24-38-68-58-53(61-45(2)63)57-56(72-59(64-3)35-22-23-36-60(59,65-4)73-57)52(71-58)34-25-37-62-50(43-66-39-46-26-14-10-15-27-46)54(69-41-48-30-18-12-19-31-48)55(70-42-49-32-20-13-21-33-49)51(62)44-67-40-47-28-16-11-17-29-47/h10-21,26-33,50-58H,5-9,22-25,34-44H2,1-4H3,(H,61,63)/t50-,51-,52-,53-,54-,55+,56-,57-,58-,59+,60+/m1/s1
InChIKey DJFWKAHDEHRLCC-VTXQVBQCSA-N
Mol Weight 1007.3 g/mol
Molecular Formula C60H82N2O11
Exact Mass 1006.591861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71jVrtxNKse
Name #29;OCTYL-2-ACETAMIDO-2,6,7,8-TETRADEOXY-3,4-O-[(1'S,2'S)-DIMETHOXYCYCLOHEXYLIDENE]-8-[(2''R,3''R,4''S,5''R)-3'',4''-DIBENZYLOXY-2'',5''-DIBENZYLOXYMETHYL-PYRRO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H82N2O11
InChI InChI=1S/C60H82N2O11/c1-5-6-7-8-9-24-38-68-58-53(61-45(2)63)57-56(72-59(64-3)35-22-23-36-60(59,65-4)73-57)52(71-58)34-25-37-62-50(43-66-39-46-26-14-10-15-27-46)54(69-41-48-30-18-12-19-31-48)55(70-42-49-32-20-13-21-33-49)51(62)44-67-40-47-28-16-11-17-29-47/h10-21,26-33,50-58H,5-9,22-25,34-44H2,1-4H3,(H,61,63)/t50-,51-,52-,53-,54-,55+,56-,57-,58-,59+,60+/m1/s1
InChIKey DJFWKAHDEHRLCC-VTXQVBQCSA-N
Literature Reference Author C.SAOTOME,Y.KANIE,O.KANIE,C.H.WONG
Literature Reference Citation BIOORG.MED.CHEM.,8,2249(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00170-X
Molecular Weight 1007.318 g/mol
Solvent CDCl3
Source File Reference UWVN20416