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2H-Pyran-5-carboxylic acid, 4-(1,3-dioxolan-2-ylmethyl)-3,4-dihydro-3-oxiranyl-2-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [2S-[2.alpha.,3.beta.(R*),4.beta.]]-
SpectraBase Compound ID A6grAvV2QSe
InChI InChI=1S/C27H36O16/c1-12(28)39-22-19(43-27(42-15(4)31)24(41-14(3)30)23(22)40-13(2)29)11-38-26-21(18-10-36-18)16(8-20-34-6-7-35-20)17(9-37-26)25(32)33-5/h9,16,18-24,26-27H,6-8,10-11H2,1-5H3
InChIKey OPSNJKMDAJPWDA-UHFFFAOYSA-N
Mol Weight 616.6 g/mol
Molecular Formula C27H36O16
Exact Mass 616.200335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0hb9YhSA6K
Name 2H-Pyran-5-carboxylic acid, 4-(1,3-dioxolan-2-ylmethyl)-3,4-dihydro-3-oxiranyl-2-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [2S-[2.alpha.,3.beta.(R*),4.beta.]]-
CAS Registry Number 121912-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O16
InChI InChI=1S/C27H36O16/c1-12(28)39-22-19(43-27(42-15(4)31)24(41-14(3)30)23(22)40-13(2)29)11-38-26-21(18-10-36-18)16(8-20-34-6-7-35-20)17(9-37-26)25(32)33-5/h9,16,18-24,26-27H,6-8,10-11H2,1-5H3
InChIKey OPSNJKMDAJPWDA-UHFFFAOYSA-N
Molecular Weight 616.569 g/mol
SMILES C=1(C(C(C2OC2)C(OC1)OCC1C(C(OC(=O)C)C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)CC1OCCO1)C(=O)OC
SPLASH splash10-0159-0957000000-a46141c81c4b7b984d28
Source of Spectrum F-44-7152-19
Synonyms Methyl (2S,3S,4S,9S)-4-(1,3-dioxolan-2-yl-methyl-3-(1,2-epoxyethyl)-2-(2',3',4',6'-tetraacetyl-.beta.-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate Methyl 4-(1,3-dioxolan-2-ylmethyl)-3-(oxiran-2-yl)-2-{[3,4,5,6-tetrakis(acetyloxy)oxan-2-yl]methoxy}-3,4-dihydro-2H-pyran-5-carboxylate
Wiley ID 1411294