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.beta.-D-Glucopyranoside, methyl 2-(acetylamino)-2,6-dideoxy-4-O-[2,3,4-tri-O-acetyl-N-(2-hydroxy-5-ox o-1-cyclopenten-1-yl)-.beta.-D-galactopyranuronamidosyl]-, 3-acetate
SpectraBase Compound ID 4Q7JNm23dRp
InChI InChI=1S/C28H38N2O16/c1-10-20(21(41-12(3)32)19(29-11(2)31)27(39-7)40-10)45-28-25(44-15(6)35)23(43-14(5)34)22(42-13(4)33)24(46-28)26(38)30-18-16(36)8-9-17(18)37/h10,19-25,27-28,36H,8-9H2,1-7H3,(H,29,31)(H,30,38)
InChIKey JDOCWXSRTCVCQR-UHFFFAOYSA-N
Mol Weight 658.6 g/mol
Molecular Formula C28H38N2O16
Exact Mass 658.222133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZAaU1n1wky
Name .beta.-D-Glucopyranoside, methyl 2-(acetylamino)-2,6-dideoxy-4-O-[2,3,4-tri-O-acetyl-N-(2-hydroxy-5-ox o-1-cyclopenten-1-yl)-.beta.-D-galactopyranuronamidosyl]-, 3-acetate
CAS Registry Number 78300-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38N2O16
InChI InChI=1S/C28H38N2O16/c1-10-20(21(41-12(3)32)19(29-11(2)31)27(39-7)40-10)45-28-25(44-15(6)35)23(43-14(5)34)22(42-13(4)33)24(46-28)26(38)30-18-16(36)8-9-17(18)37/h10,19-25,27-28,36H,8-9H2,1-7H3,(H,29,31)(H,30,38)
InChIKey JDOCWXSRTCVCQR-UHFFFAOYSA-N
Molecular Weight 658.610 g/mol
SMILES N(C1C(C(OC2C(C(C(C(C(NC3=C(CCC3=O)O)=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)C(OC1OC)C)OC(=O)C)C(=O)C
SPLASH splash10-0udj-0952001000-bc3d21b13fa6177189bd
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-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-3-yl acetate Methyl-O-[2,3,4-tri-O-acetyl-.beta.-D-galactopyranosyluron-N-(1-hydroxy-3-oxo-1-cyclopenten-2-yl)amide]-(1 to 4)-2-acetamido-3-O-acetyl-2,6-didesoxy-.beta.-D-glucopyranoside
Wiley ID 1413434