For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
.beta.-D-Glucopyranoside, 1-methylethyl 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 1sNvJxrYGUJ
InChI InChI=1S/C30H42N2O16/c1-11(2)41-29-21(31-13(4)33)23(43-14(5)34)22(12(3)42-29)47-30-27(46-17(8)37)25(45-16(7)36)24(44-15(6)35)26(48-30)28(40)32-20-18(38)9-10-19(20)39/h11-12,21-27,29-30,38H,9-10H2,1-8H3,(H,31,33)(H,32,40)
InChIKey QMIWIQSTBXXRRI-UHFFFAOYSA-N
Mol Weight 686.7 g/mol
Molecular Formula C30H42N2O16
Exact Mass 686.253433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JcA5IcRDFZN
Name .beta.-D-Glucopyranoside, 1-methylethyl 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 78300-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42N2O16
InChI InChI=1S/C30H42N2O16/c1-11(2)41-29-21(31-13(4)33)23(43-14(5)34)22(12(3)42-29)47-30-27(46-17(8)37)25(45-16(7)36)24(44-15(6)35)26(48-30)28(40)32-20-18(38)9-10-19(20)39/h11-12,21-27,29-30,38H,9-10H2,1-8H3,(H,31,33)(H,32,40)
InChIKey QMIWIQSTBXXRRI-UHFFFAOYSA-N
Molecular Weight 686.664 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)C)C)OC(=O)C)C(=O)C
SPLASH splash10-0w2j-0973000000-b803ec8e613815132ee9
Source of Spectrum F-37-109-0
Synonyms 2-Propyl-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 4,5-bis(acetyloxy)-2-{[4-(acetyloxy)-5-acetamido-2-methyl-6-(propan-2-yloxy)oxan-3-yl]oxy}-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-3-yl acetate
Wiley ID 1414528