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DIMETHYL-(2S,6S)-2,6-BIS-[(1S,4R)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO-[2.2.1]-HEPTANE-(CARBONYLAMINO)]-HEPTANEDIOATE
SpectraBase Compound ID KT4iSTvAJ2Z
InChI InChI=1S/C29H42N2O10/c1-24(2)26(5)12-14-28(24,40-22(26)36)20(34)30-16(18(32)38-7)10-9-11-17(19(33)39-8)31-21(35)29-15-13-27(6,23(37)41-29)25(29,3)4/h16-17H,9-15H2,1-8H3,(H,30,34)(H,31,35)/t16-,17-,26-,27-,28+,29+/m0/s1
InChIKey QZUSTLLPGHRAMC-URQBLGDHSA-N
Mol Weight 578.7 g/mol
Molecular Formula C29H42N2O10
Exact Mass 578.283946 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yMxJ8KopNm
Name DIMETHYL-(2S,6S)-2,6-BIS-[(1S,4R)-4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO-[2.2.1]-HEPTANE-(CARBONYLAMINO)]-HEPTANEDIOATE
Compound Number 31B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42N2O10
InChI InChI=1S/C29H42N2O10/c1-24(2)26(5)12-14-28(24,40-22(26)36)20(34)30-16(18(32)38-7)10-9-11-17(19(33)39-8)31-21(35)29-15-13-27(6,23(37)41-29)25(29,3)4/h16-17H,9-15H2,1-8H3,(H,30,34)(H,31,35)/t16-,17-,26-,27-,28+,29+/m0/s1
InChIKey QZUSTLLPGHRAMC-URQBLGDHSA-N
Literature Reference Author Y.GAO,P.LANE-BELL,J.C.VEDERAS
Literature Reference Citation J.ORG.CHEM.,63,2133(1998)
Literature Reference DOI 10.1021/jo972133h
Molecular Weight 578.660 g/mol
Sample ID 28065
Solvent CDCl3