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(-)-2-ACETYLROTEPOXIDE-A;2-ACETYL-3-BENZOYL-1-BENZOYLOXYMETHYL-1,6-EPOXYCYCLOHEXAN-2,3,4,5-TETROL
SpectraBase Compound ID 7kzRkcOoa8r
InChI InChI=1S/C23H22O9/c1-13(24)30-20-18(31-22(28)15-10-6-3-7-11-15)16(25)17(26)19-23(20,32-19)12-29-21(27)14-8-4-2-5-9-14/h2-11,16-20,25-26H,12H2,1H3/t16-,17-,18-,19-,20+,23-/m1/s1
InChIKey PLKARHGTVPIEFX-FWZFTAGBSA-N
Mol Weight 442.42 g/mol
Molecular Formula C23H22O9
Exact Mass 442.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7jTd8l0Ev53
Name (-)-2-ACETYLROTEPOXIDE-A;2-ACETYL-3-BENZOYL-1-BENZOYLOXYMETHYL-1,6-EPOXYCYCLOHEXAN-2,3,4,5-TETROL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22O9
InChI InChI=1S/C23H22O9/c1-13(24)30-20-18(31-22(28)15-10-6-3-7-11-15)16(25)17(26)19-23(20,32-19)12-29-21(27)14-8-4-2-5-9-14/h2-11,16-20,25-26H,12H2,1H3/t16-,17-,18-,19-,20+,23-/m1/s1
InChIKey PLKARHGTVPIEFX-FWZFTAGBSA-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 442.422 g/mol
Sample ID 62373
Solvent CD3OD