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3,8-Dioxatricyclo[5.1.0.02,4]octane, D-epi-inositol deriv.
SpectraBase Compound ID GaecoIYhrL1
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
InChIKey LLAINOLDYLTSDJ-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C23H20O8
Exact Mass 424.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PmmKWWbmXm
Name 3,8-Dioxatricyclo[5.1.0.02,4]octane, D-epi-inositol deriv.
CAS Registry Number 113532-14-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
InChIKey LLAINOLDYLTSDJ-UHFFFAOYSA-N
Molecular Weight 424.405 g/mol
SMILES C12(C(C3OC3C(C2OC(=O)C)OC(=O)c2ccccc2)O1)COC(=O)c1ccccc1
SPLASH splash10-0a4i-2910000000-8dfeba7ae192a5d0079b
Source of Spectrum B-40-2060-8
Synonyms D-epi-Inositol, 2,3:4,5-dianhydro-2-C-[(benzoyloxy)methyl]-, 1-acetate 6-benzoate (+-)-(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 (boesenboxide) 6-(acetyloxy)-7-[(benzoyloxy)methyl]-3,8-dioxatricyclo[5.1.0.0(2,4)]oct-5-yl benzoate Boesenboxide
Wiley ID 1379262