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Propanedioic acid, [2-[(acetyloxy)methyl]-3,6-dihydro-6-methoxy-2H-pyran-3-yl]-, dimethyl ester, [2S-(2.alpha.,3.beta.,6.alpha.)]-
SpectraBase Compound ID IGNQVuhADX0
InChI InChI=1S/C14H20O8/c1-8(15)21-7-10-9(5-6-11(18-2)22-10)12(13(16)19-3)14(17)20-4/h5-6,9-12H,7H2,1-4H3/t9-,10+,11+/m0/s1
InChIKey RXYLEXFKOJYENM-HBNTYKKESA-N
Mol Weight 316.31 g/mol
Molecular Formula C14H20O8
Exact Mass 316.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XojtVhbteB
Name Propanedioic acid, [2-[(acetyloxy)methyl]-3,6-dihydro-6-methoxy-2H-pyran-3-yl]-, dimethyl ester, [2S-(2.alpha.,3.beta.,6.alpha.)]-
CAS Registry Number 78081-23-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O8
InChI InChI=1S/C14H20O8/c1-8(15)21-7-10-9(5-6-11(18-2)22-10)12(13(16)19-3)14(17)20-4/h5-6,9-12H,7H2,1-4H3/t9-,10+,11+/m0/s1
InChIKey RXYLEXFKOJYENM-HBNTYKKESA-N
Molecular Weight 316.306 g/mol
SMILES C([C@]1(C=C[C@@](O[C@@]1(COC(=O)C)[H])(OC)[H])[H])(C(=O)OC)C(=O)OC
SPLASH splash10-0a4i-0920000000-86a3c217a4f68671c279
Source of Spectrum I-59-893-1
Synonyms Dimethyl 2-{(2S,3R,6R)-2-[(acetyloxy)methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-yl}malonate Methyl 6-O-acetyl-2,3,4-trideoxy-4-[bis(methoxycarbonyl)-methyl]-.beta.-D-erythro-hex-2-enopyranoside
Wiley ID 1316465