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

*Links on SpectraBase are not permalinks.
Asparagine, N-(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)-N2-(trifluoroacetyl)-, ethyl ester, 3',4',6'-triacetate, L-
SpectraBase Compound ID FMqbaEGVeOC
InChI InChI=1S/C22H30F3N3O12/c1-6-36-20(34)13(27-21(35)22(23,24)25)7-15(33)28-19-16(26-9(2)29)18(39-12(5)32)17(38-11(4)31)14(40-19)8-37-10(3)30/h13-14,16-19H,6-8H2,1-5H3,(H,26,29)(H,27,35)(H,28,33)
InChIKey MMVXDBXHWCBCEQ-UHFFFAOYSA-N
Mol Weight 585.49 g/mol
Molecular Formula C22H30F3N3O12
Exact Mass 585.178158 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 AI7FZslb8cX
Name Asparagine, N-(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)-N2-(trifluoroacetyl)-, ethyl ester, 3',4',6'-triacetate, L-
Alternate Name(s) 3,4,6-Tri-O-acetyl-2-(acetylamino)-2-deoxy-N-(4-ethoxy-4-oxo-3-[(trifluoroacetyl)amino]butanoyl)hexopyranosylamine 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-4-keto-2-[(2,2,2-trifluoroacetyl)amino]butyric acid ethyl ester 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]amino]-4-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]butanoic acid ethyl ester Ethyl 4-[[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate Ethyl 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoate Ethyl 4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CAS Registry Number 16907-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30F3N3O12
InChI InChI=1S/C22H30F3N3O12/c1-6-36-20(34)13(27-21(35)22(23,24)25)7-15(33)28-19-16(26-9(2)29)18(39-12(5)32)17(38-11(4)31)14(40-19)8-37-10(3)30/h13-14,16-19H,6-8H2,1-5H3,(H,26,29)(H,27,35)(H,28,33)
InChIKey MMVXDBXHWCBCEQ-UHFFFAOYSA-N
Molecular Weight 585.486 g/mol
SMILES N(C(C)=O)C1C(OC(C(C1OC(C)=O)OC(C)=O)COC(C)=O)NC(CC(NC(C(F)(F)F)=O)C(OCC)=O)=O
SPLASH splash10-0f6x-4921000000-33ca576f7296da527b1c
Source of Spectrum T-67-4335-0
Wiley ID 65006