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2-Methyl 5-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl pyridine-2,5-dicarboxylate

View entire compound with spectra: 1 MS (GC)

2-Methyl 5-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl pyridine-2,5-dicarboxylate
SpectraBase Compound ID F1NwlEOOMxJ
InChI InChI=1S/C20H25NO9/c1-19(2)27-13-12(26-18-15(14(13)28-19)29-20(3,4)30-18)9-25-16(22)10-6-7-11(21-8-10)17(23)24-5/h6-8,12-15,18H,9H2,1-5H3/t12-,13+,14+,15-,18-/m1/s1
InChIKey ILYMGDJCAPZLKB-SUKQMUEJSA-N
Mol Weight 423.42 g/mol
Molecular Formula C20H25NO9
Exact Mass 423.152931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfplMCndX8D
Name 2-Methyl 5-((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl pyridine-2,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO9
InChI InChI=1S/C20H25NO9/c1-19(2)27-13-12(26-18-15(14(13)28-19)29-20(3,4)30-18)9-25-16(22)10-6-7-11(21-8-10)17(23)24-5/h6-8,12-15,18H,9H2,1-5H3/t12-,13+,14+,15-,18-/m1/s1
InChIKey ILYMGDJCAPZLKB-SUKQMUEJSA-N
Literature Reference DOI 10.1002/ejic.200600130
Molecular Weight 423.418 g/mol
SMILES CC1(C)O[C@]2([C@@](COC(c3cnc(cc3)C(OC)=O)=O)(O[C@]3([C@@]([C@]2(O1)[H])(OC(C)(C)O3)[H])[H])[H])[H]
SPLASH splash10-0a59-9800700000-f94ad3e342fbbf36cec0
Source of Spectrum U2-2006-3583-2c
Synonyms 2-Methyl 5-(((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl) pyridine-2,5-dicarboxylate
Wiley ID 1791108