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#4;(2R,8R)-8-[(6,7,9,10,12,13,15,16,18,19-DECAHYDRO-5,8,11,14,17,20-HEXAOXABENZOCYCLOOCTADECEN-2-YLAMINO)-METHYL]-2-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3
SpectraBase Compound ID AAyB9FwNVCC
InChI InChI=1S/C36H47N5O7.F6P/c42-35(29-6-5-27-3-1-2-4-28(27)23-29)38-26-32-10-12-41-11-9-31(39-36(41)40-32)25-37-30-7-8-33-34(24-30)48-22-20-46-18-16-44-14-13-43-15-17-45-19-21-47-33;1-7(2,3,4,5)6/h1-8,23-24,31-32,37H,9-22,25-26H2,(H,38,42)(H,39,40);/q;-1/p+1/t31-,32-;/m0./s1
InChIKey WSTNWKOXNRZFIF-UEMXOEKYSA-O
Mol Weight 807.8 g/mol
Molecular Formula C36H48F6N5O7P
Exact Mass 807.319555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSXMTpHGAZ8
Name #4;(2R,8R)-8-[(6,7,9,10,12,13,15,16,18,19-DECAHYDRO-5,8,11,14,17,20-HEXAOXABENZOCYCLOOCTADECEN-2-YLAMINO)-METHYL]-2-[[(NAPHTHALENE-2-CARBONYL)-AMINO]-METHYL]-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48F6N5O7P
InChI InChI=1S/C36H47N5O7.F6P/c42-35(29-6-5-27-3-1-2-4-28(27)23-29)38-26-32-10-12-41-11-9-31(39-36(41)40-32)25-37-30-7-8-33-34(24-30)48-22-20-46-18-16-44-14-13-43-15-17-45-19-21-47-33;1-7(2,3,4,5)6/h1-8,23-24,31-32,37H,9-22,25-26H2,(H,38,42)(H,39,40);/q;-1/p+1/t31-,32-;/m0./s1
InChIKey WSTNWKOXNRZFIF-UEMXOEKYSA-O
Literature Reference Author P.BRECCIA,M.V.GOOL,R.PEREZ-FERNANDEZ,S.MARTIN-SANTAMARIA,F.G AGO,P.PRADOS,J.D.MEN
Literature Reference Citation J.AM.CHEM.SOC.,125,8270(2003)
Literature Reference DOI 10.1021/ja026860s
Molecular Weight 807.771 g/mol
Sample ID 41742
Solvent ACETONE-D6