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N-TRITYL-VERRUCINE-B;(1R,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-(N-TRITYL)-PROPANAMIDE

View entire compound with spectra: 2 NMR

N-TRITYL-VERRUCINE-B;(1R,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-(N-TRITYL)-PROPANAMIDE
SpectraBase Compound ID grpO452fqX
InChI InChI=1S/C40H34N4O3/c45-36(43-40(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31)26-25-35-38(46)42-34(27-28-15-5-1-6-16-28)37-41-33-24-14-13-23-32(33)39(47)44(35)37/h1-24,34-35H,25-27H2,(H,42,46)(H,43,45)/t34-,35+/m0/s1
InChIKey CNRDWGFSUNMYGR-OIDHKYIRSA-N
Mol Weight 618.7 g/mol
Molecular Formula C40H34N4O3
Exact Mass 618.263091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLDqi1vsM5h
Name N-TRITYL-VERRUCINE-B;(1R,4S)-1,3,4,6-TETRAHYDRO-3,6-DIOXO-1-(PHENYLMETHYL)-2H-PYRAZINO-[2,1-B]-QUINAZOLINE-4-(N-TRITYL)-PROPANAMIDE
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H34N4O3
InChI InChI=1S/C40H34N4O3/c45-36(43-40(29-17-7-2-8-18-29,30-19-9-3-10-20-30)31-21-11-4-12-22-31)26-25-35-38(46)42-34(27-28-15-5-1-6-16-28)37-41-33-24-14-13-23-32(33)39(47)44(35)37/h1-24,34-35H,25-27H2,(H,42,46)(H,43,45)/t34-,35+/m0/s1
InChIKey CNRDWGFSUNMYGR-OIDHKYIRSA-N
Literature Reference Author H.WANG,M.M.SIM
Literature Reference Citation J.NAT.PROD.,64,1497(2001)
Literature Reference DOI 10.1021/np010342y
Molecular Weight 618.735 g/mol
Solvent CDCl3
Source File Reference UWSI2365