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5-Methyl-1-(3',4',6'-tri-O-acetyl-2'-deoxy-.alpha.-D-arabinohexopyranosyl)-4-imidazoline-2-thione
SpectraBase Compound ID EWbkJrhJuWb
InChI InChI=1S/C16H22N2O7S/c1-7-6-17-16(26)18(7)15-14(25-11(5)21)13(24-10(4)20)12(8(2)22-15)23-9(3)19/h6,8,12-15H,1-5H3,(H,17,26)/t8?,12-,13-,14+,15+/m1/s1
InChIKey VHNCIQFFQGOVJM-OJJIRGJUSA-N
Mol Weight 386.42 g/mol
Molecular Formula C16H22N2O7S
Exact Mass 386.114772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqThDKvghxf
Name 5-Methyl-1-(3',4',6'-tri-O-acetyl-2'-deoxy-.alpha.-D-arabinohexopyranosyl)-4-imidazoline-2-thione
Alternate Name(s) (3R,4R,5S,6S)-4,5-bis(acetyloxy)-2-methyl-6-(5-methyl-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl)oxan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O7S
InChI InChI=1S/C16H22N2O7S/c1-7-6-17-16(26)18(7)15-14(25-11(5)21)13(24-10(4)20)12(8(2)22-15)23-9(3)19/h6,8,12-15H,1-5H3,(H,17,26)/t8?,12-,13-,14+,15+/m1/s1
InChIKey VHNCIQFFQGOVJM-OJJIRGJUSA-N
Molecular Weight 386.419 g/mol
SMILES N1C=C(N(C1=S)[C@@]1([C@]([C@](OC(=O)C)([C@@](C(O1)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])C
SPLASH splash10-03dj-8912000000-b5cb11e2c7e317fd5e02
Source of Spectrum F-47-5808-13
Wiley ID 1362434