For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1S,3R,4S,7R)-1-(ACETOXYMETHYL)-3-(6-N-BENZOYLADENIN-9-YL)-7-BENZYLOXY-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
SpectraBase Compound ID 13s0cJ92Qt6
InChI InChI=1S/C27H25N5O6/c1-17(33)36-13-27-14-37-21(22(27)35-12-18-8-4-2-5-9-18)26(38-27)32-16-30-20-23(28-15-29-24(20)32)31-25(34)19-10-6-3-7-11-19/h2-11,15-16,21-22,26H,12-14H2,1H3,(H,28,29,31,34)/t21-,22+,26+,27+/m1/s1
InChIKey WPGPEQSPRKSQCA-SEEQBUNISA-N
Mol Weight 515.53 g/mol
Molecular Formula C27H25N5O6
Exact Mass 515.180484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GsC36MuEOMd
Name (1S,3R,4S,7R)-1-(ACETOXYMETHYL)-3-(6-N-BENZOYLADENIN-9-YL)-7-BENZYLOXY-2,5-DIOXABICYCLO-[2.2.1]-HEPTANE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25N5O6
InChI InChI=1S/C27H25N5O6/c1-17(33)36-13-27-14-37-21(22(27)35-12-18-8-4-2-5-9-18)26(38-27)32-16-30-20-23(28-15-29-24(20)32)31-25(34)19-10-6-3-7-11-19/h2-11,15-16,21-22,26H,12-14H2,1H3,(H,28,29,31,34)/t21-,22+,26+,27+/m1/s1
InChIKey WPGPEQSPRKSQCA-SEEQBUNISA-N
Literature Reference Author M.D.SORENSEN,L.KVAERNO,T.BRYLD,A.E.HAKANSSON,B.VERBEURE,G.GA UBERT,P.HERDEWIJN,J.
Literature Reference Citation J.AM.CHEM.SOC.,124,2164(2002)
Literature Reference DOI 10.1021/ja0168763
Molecular Weight 515.525 g/mol
Sample ID 47837
Solvent CDCl3