John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7M76IA3wQVy SpectraBase Spectrum ID=3lTmyIlV8mb

(accessed ).
PGQAWVVHDCJJGU-GGGSGSEDSA-N
SpectraBase Compound ID 7M76IA3wQVy
InChI InChI=1S/C39H56N6O7/c1-2-3-12-22-39(52)34(42-23-13-10-19-32(37(48)49)43-35(46)28-40-26-30-15-6-4-7-16-30)21-25-45(39)24-14-11-20-33(38(50)51)44-36(47)29-41-27-31-17-8-5-9-18-31/h4-9,15-18,21,25,32-33,40-41,52H,2-3,10-14,19-20,22-24,26-29H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)/b42-34+
InChIKey PGQAWVVHDCJJGU-GGGSGSEDSA-N
Mol Weight 720.9 g/mol
Molecular Formula C39H56N6O7
Exact Mass 720.421049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lTmyIlV8mb
Name PGQAWVVHDCJJGU-GGGSGSEDSA-N
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H56N6O7
InChI InChI=1S/C39H56N6O7/c1-2-3-12-22-39(52)34(42-23-13-10-19-32(37(48)49)43-35(46)28-40-26-30-15-6-4-7-16-30)21-25-45(39)24-14-11-20-33(38(50)51)44-36(47)29-41-27-31-17-8-5-9-18-31/h4-9,15-18,21,25,32-33,40-41,52H,2-3,10-14,19-20,22-24,26-29H2,1H3,(H,43,46)(H,44,47)(H,48,49)(H,50,51)/b42-34+
InChIKey PGQAWVVHDCJJGU-GGGSGSEDSA-N
Literature Reference Author K.ITAKURA,T.OSAWA,K.UCHIDA
Literature Reference Citation J.ORG.CHEM.,63,185(1998)
Literature Reference DOI 10.1021/jo971239+
Molecular Weight 720.910 g/mol
Solvent D2O
Source File Reference UWSI27183
SpectraBase Batch ID 1M71AuEbjXW