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Ethyl 2-{4"-oxo-6'',8"-dioxabicyclo[3.2.1]octan-2"-yl}-2-[4'-methyl-2',5',6'-trioxo-3',8',10'-trioxatricyclo[5.2.1]]dec-4'-yl]acetate
SpectraBase Compound ID 9Vl5G80Sh0R
InChI InChI=1S/C18H20O11/c1-3-24-15(23)11(7-4-8(19)16-25-5-9(7)27-16)18(2)13(21)12(20)17-26-6-10(28-17)14(22)29-18/h7,9-11,16-17H,3-6H2,1-2H3/t7-,9+,10+,11-,16+,17+,18-/m0/s1
InChIKey GIRNHPFIPKPVSQ-NGZQBKPOSA-N
Mol Weight 412.35 g/mol
Molecular Formula C18H20O11
Exact Mass 412.100561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rMCZJZwwUR
Name Ethyl 2-{4"-oxo-6'',8"-dioxabicyclo[3.2.1]octan-2"-yl}-2-[4'-methyl-2',5',6'-trioxo-3',8',10'-trioxatricyclo[5.2.1]]dec-4'-yl]acetate
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Formula C18H20O11
InChI InChI=1S/C18H20O11/c1-3-24-15(23)11(7-4-8(19)16-25-5-9(7)27-16)18(2)13(21)12(20)17-26-6-10(28-17)14(22)29-18/h7,9-11,16-17H,3-6H2,1-2H3/t7-,9+,10+,11-,16+,17+,18-/m0/s1
InChIKey GIRNHPFIPKPVSQ-NGZQBKPOSA-N
Molecular Weight 412.347 g/mol
SMILES [C@]1(C(C([C@@]2(OC[C@](C(O1)=O)(O2)[H])[H])=O)=O)([C@@]([C@@]1([C@@]2(O[C@](C(C1)=O)(OC2)[H])[H])[H])(C(=O)OCC)[H])C
SPLASH splash10-00bd-9842000000-f2847fa2d38a17ba6e36
Source of Spectrum QF-48-156-13
Synonyms Ethyl 2-{4''-oxo-6'',8''-dioxabicyclo[3.2.1]octan-2''-yl}-2-[4'-methyl-2',5',6'-trioxo-3',8',10'-trioxatricyclo[5.2.1]]dec-4'-yl]acetate (2R)-2-[(1R,4S,7R)-4-methyl-2,5,6-trioxo-3,8,10-trioxabicyclo[5.2.1]decan-4-yl]-2-[(1S,2R,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetic acid ethyl ester Ethyl (2R)-2-[(1R,4S,7R)-4-methyl-2,5,6-trioxo-3,8,10-trioxabicyclo[5.2.1]decan-4-yl]-2-[(1S,2R,5R)-4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetate Ethyl (2R)-2-[(1R,4S,7R)-4-methyl-2,5,6-tris(oxidanylidene)-3,8,10-trioxabicyclo[5.2.1]decan-4-yl]-2-[(1S,2R,5R)-4-oxidanylidene-6,8-dioxabicyclo[3.2.1]octan-2-yl]ethanoate
Wiley ID 834045