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REL-(3R,5R,6AS,7R,8S)-5-BENZOYLOXY-3-BUTOXY-7-CARBOMETHOXY-8-HYDROXY-2-OXA-9-OXOBICYCLO-[4.3.0]-NONANE
SpectraBase Compound ID 2ViraW0cRby
InChI InChI=1S/C20H25NO8/c1-3-4-10-27-14-11-13(28-19(24)12-8-6-5-7-9-12)16-15(20(25)26-2)17(22)18(23)21(16)29-14/h5-9,13-17,22H,3-4,10-11H2,1-2H3/t13-,14-,15-,16-,17+/m1/s1
InChIKey OZOZOLOKJPTTFU-HHARLNAUSA-N
Mol Weight 407.42 g/mol
Molecular Formula C20H25NO8
Exact Mass 407.158017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FkfXl4vfDn
Name REL-(3R,5R,6AS,7R,8S)-5-BENZOYLOXY-3-BUTOXY-7-CARBOMETHOXY-8-HYDROXY-2-OXA-9-OXOBICYCLO-[4.3.0]-NONANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO8
InChI InChI=1S/C20H25NO8/c1-3-4-10-27-14-11-13(28-19(24)12-8-6-5-7-9-12)16-15(20(25)26-2)17(22)18(23)21(16)29-14/h5-9,13-17,22H,3-4,10-11H2,1-2H3/t13-,14-,15-,16-,17+/m1/s1
InChIKey OZOZOLOKJPTTFU-HHARLNAUSA-N
Literature Reference Author S.E.DENMARK,V.GUAGNANO,J.VAUGEOIS
Literature Reference Citation CAN.J.CHEM.,79,1606(2001)
Literature Reference DOI 10.1139/cjc-79-11-1606
Molecular Weight 407.420 g/mol
Solvent CDCl3