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Methyl 3,4,6-tri-O-acetyl-N-hippuroyl-beta-d-glucosaminide
SpectraBase Compound ID 4C9gXWDyGB3
InChI InChI=1S/C22H28N2O10/c1-12(25)31-11-16-19(32-13(2)26)20(33-14(3)27)18(22(30-4)34-16)24-17(28)10-23-21(29)15-8-6-5-7-9-15/h5-9,16,18-20,22H,10-11H2,1-4H3,(H,23,29)(H,24,28)/t16-,18-,19-,20-,22-/m1/s1
InChIKey RGEPAKXQHTYBRN-VNHVOUQCSA-N
Mol Weight 480.47 g/mol
Molecular Formula C22H28N2O10
Exact Mass 480.174395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1sI3KluzCZ
Name Methyl 3,4,6-tri-O-acetyl-N-hippuroyl-beta-d-glucosaminide
Alternate Name(s) Acetic acid [3,4-diacetyloxy-5-[(2-benzamido-1-oxoethyl)amino]-6-methoxy-2-oxanyl]methyl ester [3,4-diacetyloxy-5-[(2-benzamidoacetyl)amino]-6-methoxyoxan-2-yl]methyl acetate [3,4-diacetoxy-5-[(2-benzamidoacetyl)amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate [3,4-diacetyloxy-5-(2-benzamidoethanoylamino)-6-methoxy-oxan-2-yl]methyl ethanoate
CAS Registry Number 5513-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O10
InChI InChI=1S/C22H28N2O10/c1-12(25)31-11-16-19(32-13(2)26)20(33-14(3)27)18(22(30-4)34-16)24-17(28)10-23-21(29)15-8-6-5-7-9-15/h5-9,16,18-20,22H,10-11H2,1-4H3,(H,23,29)(H,24,28)/t16-,18-,19-,20-,22-/m1/s1
InChIKey RGEPAKXQHTYBRN-VNHVOUQCSA-N
Molecular Weight 480.470 g/mol
SMILES N(C(c1ccccc1)=O)CC(N[C@]1([C@@](O[C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(COC(C)=O)[H])(OC)[H])[H])=O
SPLASH splash10-0btc-5920000000-5f699c1eee4cbc4b7e28
Source of Spectrum NP-15-5733-0
Wiley ID 1112654