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.alpha.-D-Glucopyranose, 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]-, 1,3-diacetate
SpectraBase Compound ID H8Zd3Jshr6d
InChI InChI=1S/C29H38N2O17/c1-10-21(22(42-12(3)33)20(30-11(2)32)28(41-10)46-16(7)37)47-29-26(45-15(6)36)24(44-14(5)35)23(43-13(4)34)25(48-29)27(40)31-19-17(38)8-9-18(19)39/h10,20-26,28-29,38H,8-9H2,1-7H3,(H,30,32)(H,31,40)
InChIKey SMCPMJMBLDWAPV-UHFFFAOYSA-N
Mol Weight 686.6 g/mol
Molecular Formula C29H38N2O17
Exact Mass 686.217048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PWN6ZGchcl
Name .alpha.-D-Glucopyranose, 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]-, 1,3-diacetate
CAS Registry Number 78300-67-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O17
InChI InChI=1S/C29H38N2O17/c1-10-21(22(42-12(3)33)20(30-11(2)32)28(41-10)46-16(7)37)47-29-26(45-15(6)36)24(44-14(5)35)23(43-13(4)34)25(48-29)27(40)31-19-17(38)8-9-18(19)39/h10,20-26,28-29,38H,8-9H2,1-7H3,(H,30,32)(H,31,40)
InChIKey SMCPMJMBLDWAPV-UHFFFAOYSA-N
Molecular Weight 686.620 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(=O)C)C)OC(=O)C)C(=O)C
SPLASH splash10-0w29-0941000000-d3e8ceb87cf256dff8a5
Source of Spectrum F-37-109-0
Synonyms 4,5-bis(acetyloxy)-2-{[4,6-bis(acetyloxy)-5-acetamido-2-methyloxan-3-yl]oxy}-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-3-yl acetate 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-1,3-di-O-acetyl-2,6-didesoxy-.alpha.-D-glucopyranose
Wiley ID 1414527