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.beta.-D-Glucopyranoside, methyl 2-(acetylamino)-2,6-dideoxy-4-O-[2,3,4-tri-O-acetyl-N-(2-methoxy-5-ox o-1-cyclopenten-1-yl)-.beta.-D-galactopyranuronamidosyl]-, 3-acetate
SpectraBase Compound ID GAph1klMqoW
InChI InChI=1S/C29H40N2O16/c1-11-21(22(42-13(3)33)20(30-12(2)32)28(40-8)41-11)46-29-26(45-16(6)36)24(44-15(5)35)23(43-14(4)34)25(47-29)27(38)31-19-17(37)9-10-18(19)39-7/h11,20-26,28-29H,9-10H2,1-8H3,(H,30,32)(H,31,38)
InChIKey ZZEZITAQGBSZMA-UHFFFAOYSA-N
Mol Weight 672.6 g/mol
Molecular Formula C29H40N2O16
Exact Mass 672.237783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HP67d9pxNg3
Name .beta.-D-Glucopyranoside, methyl 2-(acetylamino)-2,6-dideoxy-4-O-[2,3,4-tri-O-acetyl-N-(2-methoxy-5-ox o-1-cyclopenten-1-yl)-.beta.-D-galactopyranuronamidosyl]-, 3-acetate
CAS Registry Number 78300-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40N2O16
InChI InChI=1S/C29H40N2O16/c1-11-21(22(42-13(3)33)20(30-12(2)32)28(40-8)41-11)46-29-26(45-16(6)36)24(44-15(5)35)23(43-14(4)34)25(47-29)27(38)31-19-17(37)9-10-18(19)39-7/h11,20-26,28-29H,9-10H2,1-8H3,(H,30,32)(H,31,38)
InChIKey ZZEZITAQGBSZMA-UHFFFAOYSA-N
Molecular Weight 672.637 g/mol
SMILES N(C1C(C(OC2C(C(C(C(C(NC3=C(CCC3=O)OC)=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)C(OC1OC)C)OC(=O)C)C(=O)C
SPLASH splash10-0udi-0941000000-9e1de25797df0ff1cbc8
Source of Spectrum F-37-109-0
Synonyms 4,5-bis(acetyloxy)-2-{[4-(acetyloxy)-5-acetamido-6-methoxy-2-methyloxan-3-yl]oxy}-6-[(2-methoxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-3-yl acetate Methyl-0-[2,3,4-tri-O-acetyl-.beta.-D-galactopyranosyluron-N-(1-methoxy-3-oxo-1-cyclopenten-2-yl)amide]-(1 to 4)-2-acetamido-3-O-acetyl-2,6-didesoxy-.beta.-D-glucopyranoside
Wiley ID 1413981