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

*Links on SpectraBase are not permalinks.
(1S,2R,3S,4S,5S,6R)-6-Acetamido-4-(acetoxymethyl)-5-bromo-4-hydroxycyclohexane-1,2,3-triyl triacetate
SpectraBase Compound ID ICPZifsdrFX
InChI InChI=1S/C17H24BrNO10/c1-7(20)19-12-13(27-9(3)22)14(28-10(4)23)16(29-11(5)24)17(25,15(12)18)6-26-8(2)21/h12-16,25H,6H2,1-5H3,(H,19,20)/t12-,13+,14-,15+,16+,17-/m1/s1
InChIKey ISARRAZMPKLMQX-IAFLNBNSSA-N
Mol Weight 482.28 g/mol
Molecular Formula C17H24BrNO10
Exact Mass 481.058359 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 IcgojtoFxF9
Name (1S,2R,3S,4S,5S,6R)-6-Acetamido-4-(acetoxymethyl)-5-bromo-4-hydroxycyclohexane-1,2,3-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24BrNO10
InChI InChI=1S/C17H24BrNO10/c1-7(20)19-12-13(27-9(3)22)14(28-10(4)23)16(29-11(5)24)17(25,15(12)18)6-26-8(2)21/h12-16,25H,6H2,1-5H3,(H,19,20)/t12-,13+,14-,15+,16+,17-/m1/s1
InChIKey ISARRAZMPKLMQX-IAFLNBNSSA-N
Molecular Weight 482.280 g/mol
SMILES N([C@@]1([C@@]([C@]([C@@]([C@]([C@]1(Br)[H])(COC(=O)C)O)(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C(=O)C
SPLASH splash10-000x-9005200000-57b372b91578659e01c6
Source of Spectrum F-69-7036-15
Synonyms Acetic acid [(1S,2S,3R,4S,5R,6S)-5-acetamido-2,3,4-triacetyloxy-6-bromo-1-hydroxycyclohexyl]methyl ester [(1S,2S,3R,4S,5R,6S)-5-acetamido-2,3,4-triacetyloxy-6-bromo-1-hydroxycyclohexyl]methyl acetate [(1S,2S,3R,4S,5R,6S)-5-acetamido-2,3,4-triacetoxy-6-bromo-1-hydroxy-cyclohexyl]methyl acetate [(1S,2S,3R,4S,5R,6S)-5-acetamido-2,3,4-triacetyloxy-6-bromanyl-1-oxidanyl-cyclohexyl]methyl ethanoate
Wiley ID 1738458