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.alpha.-D-Glucopyranoside, 1-O-(1-oxohexyl)-.beta.-D-fructofuranosyl, 6-dodecanoate
SpectraBase Compound ID FGXVi6DhfWL
InChI InChI=1S/C30H54O13/c1-3-5-7-8-9-10-11-12-14-16-22(32)39-18-21-24(34)26(36)27(37)29(41-21)43-30(19-40-23(33)15-13-6-4-2)28(38)25(35)20(17-31)42-30/h20-21,24-29,31,34-38H,3-19H2,1-2H3/t20-,21-,24-,25-,26+,27-,28+,29-,30-/m1/s1
InChIKey HFQGYIKCTLVYCG-QSQDAXIPSA-N
Mol Weight 622.7 g/mol
Molecular Formula C30H54O13
Exact Mass 622.356442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QakUh5rESX
Name .alpha.-D-Glucopyranoside, 1-O-(1-oxohexyl)-.beta.-D-fructofuranosyl, 6-dodecanoate
CAS Registry Number 123499-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54O13
InChI InChI=1S/C30H54O13/c1-3-5-7-8-9-10-11-12-14-16-22(32)39-18-21-24(34)26(36)27(37)29(41-21)43-30(19-40-23(33)15-13-6-4-2)28(38)25(35)20(17-31)42-30/h20-21,24-29,31,34-38H,3-19H2,1-2H3/t20-,21-,24-,25-,26+,27-,28+,29-,30-/m1/s1
InChIKey HFQGYIKCTLVYCG-QSQDAXIPSA-N
Molecular Weight 622.749 g/mol
SMILES O[C@]1([C@@]([C@@](O[C@@]2([C@@]([C@]([C@@]([C@](O2)(COC(=O)CCCCCCCCCCC)[H])(O)[H])(O)[H])(O)[H])[H])(O[C@@]1(CO)[H])COC(=O)CCCCC)(O)[H])[H]
SPLASH splash10-00dj-0900034000-bd2ee8619e7562c7556b
Source of Spectrum KC-1989-1060-3
Synonyms 1-O-hexanoyl-.alpha.-D-arabino-hex-2-ulofuranosyl 6-O-dodecanoyl-.alpha.-D-glucopyranoside 6-O-dodecanoyl-1'-O-hexanoyl-sucrose
Wiley ID 1411644