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Bicyclo[2.2.2]oct-7-ene-2,3,5,6,7-pentacarboxylic acid, pentamethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.,6.alpha.)-

View entire compound with spectra: 1 MS (GC)

Bicyclo[2.2.2]oct-7-ene-2,3,5,6,7-pentacarboxylic acid, pentamethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.,6.alpha.)-
SpectraBase Compound ID FLJeGeR6Tb4
InChI InChI=1S/C18H22O10/c1-24-14(19)8-6-7-10(15(20)25-2)12(17(22)27-4)9(8)13(18(23)28-5)11(7)16(21)26-3/h6-7,9-13H,1-5H3/t7-,9+,10-,11-,12+,13+/m0/s1
InChIKey OLEJJNBOAKREMJ-TUDBJHLUSA-N
Mol Weight 398.36 g/mol
Molecular Formula C18H22O10
Exact Mass 398.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24FIEjTX81A
Name Bicyclo[2.2.2]oct-7-ene-2,3,5,6,7-pentacarboxylic acid, pentamethyl ester, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.alpha.,6.alpha.)-
CAS Registry Number 86381-48-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O10
InChI InChI=1S/C18H22O10/c1-24-14(19)8-6-7-10(15(20)25-2)12(17(22)27-4)9(8)13(18(23)28-5)11(7)16(21)26-3/h6-7,9-13H,1-5H3/t7-,9+,10-,11-,12+,13+/m0/s1
InChIKey OLEJJNBOAKREMJ-TUDBJHLUSA-N
Molecular Weight 398.364 g/mol
SMILES C=1([C@]2([C@@](C(=O)OC)([C@]([C@@](C1)([C@@](C(=O)OC)([H])[C@@]2(C(=O)OC)[H])[H])(C(=O)OC)[H])[H])[H])C(=O)OC
SPLASH splash10-0a4i-4889000000-d3ae7b45b7748e78a6a1
Source of Spectrum H-66-30-0
Synonyms Pentamethyl (2R,3S,5S,6R)-bicyclo[2.2.2]oct-7-ene-2,3,5,6,7-pentacarboxylate Pentamethylbicyclo[2.2.2]oct-2-ene-2,5-endo,6-endo,7-syn,8-synpentacarboxylate
Wiley ID 1368214