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(+)-(1R,2R,4R,5S,6R,7R)-4-BENZOYLOXYMETHYL-3,8-DIOXATRICYCLO-[5.1.0.0(2,4)]-OCTANE-5,6-DIOL-5-ACETATE-6-BENZOATE
SpectraBase Compound ID AEM5igsg1NZ
InChI InChI=1S/C23H20O8/c1-13(24)28-19-17(30-22(26)15-10-6-3-7-11-15)16-18(29-16)20-23(19,31-20)12-27-21(25)14-8-4-2-5-9-14/h2-11,16-20H,12H2,1H3/t16-,17-,18-,19+,20-,23+/m1/s1
InChIKey LLAINOLDYLTSDJ-BJUHDVKYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C23H20O8
Exact Mass 424.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LaDCpEDZKRW
Name (+)-(1R,2R,4R,5S,6R,7R)-4-BENZOYLOXYMETHYL-3,8-DIOXATRICYCLO-[5.1.0.0(2,4)]-OCTANE-5,6-DIOL-5-ACETATE-6-BENZOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H20O8
InChI InChI=1S/C23H20O8/c1-13(24)28-19-17(30-22(26)15-10-6-3-7-11-15)16-18(29-16)20-23(19,31-20)12-27-21(25)14-8-4-2-5-9-14/h2-11,16-20H,12H2,1H3/t16-,17-,18-,19+,20-,23+/m1/s1
InChIKey LLAINOLDYLTSDJ-BJUHDVKYSA-N
Literature Reference Author P.TUNTIWACHWUTTIKUL,O.PANCHAROEN,W.A.BUBB,T.W.HAMBLEY,W.C.TA YLOR,V.REUTRAKUL
Literature Reference Citation AUSTR.J.CHEM.,40,2049(1987)
Literature Reference DOI 10.1071/ch9872049
Molecular Weight 424.407 g/mol
Solvent CDCl3
Source File Reference UWCS9739