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Pentanoic acid, 4-methyl-5-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]-, methyl ester
SpectraBase Compound ID Bfyf7XfwY9c
InChI InChI=1S/C21H32O12/c1-11(7-8-17(26)27-6)9-29-21-20(32-15(5)25)19(31-14(4)24)18(30-13(3)23)16(33-21)10-28-12(2)22/h11,16,18-21H,7-10H2,1-6H3
InChIKey ZMDFGQDWBBLCGT-UHFFFAOYSA-N
Mol Weight 476.5 g/mol
Molecular Formula C21H32O12
Exact Mass 476.189376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oqNbBcio9A
Name Pentanoic acid, 4-methyl-5-[(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)oxy]-, methyl ester
CAS Registry Number 56246-40-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O12
InChI InChI=1S/C21H32O12/c1-11(7-8-17(26)27-6)9-29-21-20(32-15(5)25)19(31-14(4)24)18(30-13(3)23)16(33-21)10-28-12(2)22/h11,16,18-21H,7-10H2,1-6H3
InChIKey ZMDFGQDWBBLCGT-UHFFFAOYSA-N
Molecular Weight 476.475 g/mol
SMILES C(OC1C(OC(C)=O)C(OCC(CCC(OC)=O)C)OC(C1OC(C)=O)COC(C)=O)(C)=O
SPLASH splash10-00mo-9500000000-76d0a9b6eff0125705d8
Source of Spectrum K-102-1259-1
Synonyms Methyl 4-methyl-5-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]pentanoate 4-Methyl-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-valeric acid methyl ester 4-Methyl-5-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]pentanoic acid methyl ester Methyl 4-methyl-5-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-pentanoate Methyl 4-methyl-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-pentanoate
Wiley ID 1394226