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(-)-ROTEPOXIDE-B;4-BENZOYL-1-BENZOYLOXYMETHYL-1,6-EPOXYCYCLOHEXAN-2,3,4,5-TETROL
SpectraBase Compound ID E7A8KM4PGgn
InChI InChI=1S/C21H20O8/c22-14-16(28-20(26)13-9-5-2-6-10-13)15(23)18-21(29-18,17(14)24)11-27-19(25)12-7-3-1-4-8-12/h1-10,14-18,22-24H,11H2/t14-,15-,16+,17+,18-,21+/m1/s1
InChIKey MJGAWEWLKZQGDP-WPJCTDPYSA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sSDvUenWeb
Name (-)-ROTEPOXIDE-B;4-BENZOYL-1-BENZOYLOXYMETHYL-1,6-EPOXYCYCLOHEXAN-2,3,4,5-TETROL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H20O8
InChI InChI=1S/C21H20O8/c22-14-16(28-20(26)13-9-5-2-6-10-13)15(23)18-21(29-18,17(14)24)11-27-19(25)12-7-3-1-4-8-12/h1-10,14-18,22-24H,11H2/t14-,15-,16+,17+,18-,21+/m1/s1
InChIKey MJGAWEWLKZQGDP-WPJCTDPYSA-N
Literature Reference Author P.C.STEVENSON,N.C.VEITCH,M.S.J.SIMMONDS
Literature Reference Citation PHYTOCHEM.,68,1579(2007)
Literature Reference DOI 10.1016/j.phytochem.2007.03.015
Molecular Weight 400.385 g/mol
Sample ID 62372
Solvent CD3OD