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2H-Pyran-4-acetic acid, 3-(dimethoxymethyl)-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, methyl ester, [2R-(2.alpha.,3.beta.,4.alpha.)]-
SpectraBase Compound ID HN6xQblPvYc
InChI InChI=1S/C14H22O7/c1-8-12(14(19-4)20-5)9(6-11(15)17-2)10(7-21-8)13(16)18-3/h7-9,12,14H,6H2,1-5H3/t8-,9-,12-/m1/s1
InChIKey OMADVTZPKKVGOV-KBVBSXBZSA-N
Mol Weight 302.32 g/mol
Molecular Formula C14H22O7
Exact Mass 302.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zIYIzVRI2e
Name 2H-Pyran-4-acetic acid, 3-(dimethoxymethyl)-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, methyl ester, [2R-(2.alpha.,3.beta.,4.alpha.)]-
CAS Registry Number 119755-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O7
InChI InChI=1S/C14H22O7/c1-8-12(14(19-4)20-5)9(6-11(15)17-2)10(7-21-8)13(16)18-3/h7-9,12,14H,6H2,1-5H3/t8-,9-,12-/m1/s1
InChIKey OMADVTZPKKVGOV-KBVBSXBZSA-N
Molecular Weight 302.323 g/mol
SMILES C=1([C@]([C@](C(OC)OC)([C@](OC1)(C)[H])[H])(CC(=O)OC)[H])C(=O)OC
SPLASH splash10-004i-9640000000-31b224ac0b24a5594539
Source of Spectrum F-44-3206-8
Synonyms Methyl (2R,3S,4S)-3-(dimethoxymethyl)-4-(2-methoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate Methyl (6-methyl-5-(dimethoxy)methyl-3-methoxycarbonyl-1-oxacyclohex-2-en-4-yl)ethanoate
Wiley ID 1304365