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L-Alanine, N-[(phenylmethoxy)carbonyl]-3-[[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-galactopyranosyl)-.beta.-D-glucopyranosyl]oxy]-, methyl ester

View entire compound with spectra: 1 MS (GC)

L-Alanine, N-[(phenylmethoxy)carbonyl]-3-[[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-galactopyranosyl)-.beta.-D-glucopyranosyl]oxy]-, methyl ester
SpectraBase Compound ID 9dEfNv4t6EN
InChI InChI=1S/C38H49NO22/c1-18(40)50-16-27-29(54-19(2)41)31(56-21(4)43)34(59-24(7)46)37(60-27)52-17-28-30(55-20(3)42)32(57-22(5)44)33(58-23(6)45)36(61-28)51-15-26(35(47)49-8)39-38(48)53-14-25-12-10-9-11-13-25/h9-13,26-34,36-37H,14-17H2,1-8H3,(H,39,48)
InChIKey ZYOLFZCBNWVLTA-UHFFFAOYSA-N
Mol Weight 871.8 g/mol
Molecular Formula C38H49NO22
Exact Mass 871.274622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVpDs3pPGQM
Name L-Alanine, N-[(phenylmethoxy)carbonyl]-3-[[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-.alpha.-D-galactopyranosyl)-.beta.-D-glucopyranosyl]oxy]-, methyl ester
Alternate Name(s) Methyl 2-([(benzyloxy)carbonyl]amino)-3-([2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranosyl]oxy)propanoate 2-(benzyloxycarbonylamino)-3-[3,4,5-triacetoxy-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propionic acid methyl ester 2-(Phenylmethoxycarbonylamino)-3-[[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]propanoic acid methyl ester Alanine, N-carboxy-3-[(6-O-.alpha.-D-galactopyranosyl-.beta.-D-glucopyranosyl)oxy]-, N-benzyl methyl ester, heptaacetate (ester), L- Methyl 2-(benzyloxycarbonylamino)-3-[3,4,5-triacetoxy-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propanoate Methyl 2-(phenylmethoxycarbonylamino)-3-[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-propanoate
CAS Registry Number 25773-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H49NO22
InChI InChI=1S/C38H49NO22/c1-18(40)50-16-27-29(54-19(2)41)31(56-21(4)43)34(59-24(7)46)37(60-27)52-17-28-30(55-20(3)42)32(57-22(5)44)33(58-23(6)45)36(61-28)51-15-26(35(47)49-8)39-38(48)53-14-25-12-10-9-11-13-25/h9-13,26-34,36-37H,14-17H2,1-8H3,(H,39,48)
InChIKey ZYOLFZCBNWVLTA-UHFFFAOYSA-N
Molecular Weight 871.795 g/mol
SMILES N(C(COC1C(C(C(C(COC2C(C(C(C(COC(C)=O)O2)OC(C)=O)OC(C)=O)OC(C)=O)O1)OC(C)=O)OC(C)=O)OC(C)=O)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-00lu-3925000000-eafd3de70077718b96bb
Source of Spectrum AU-20-281-5
Wiley ID 1417837