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(1R,2S,3R,4S,5R,6R)-5-Acetamido-1-(acetoxymethyl)-7-oxabicyclo[4.1.0] heptane-2,3,4-triyl triacetate
SpectraBase Compound ID 2ZdSwZLSwVj
InChI InChI=1S/C17H23NO10/c1-7(19)18-12-13(25-9(3)21)14(26-10(4)22)16(27-11(5)23)17(15(12)28-17)6-24-8(2)20/h12-16H,6H2,1-5H3,(H,18,19)/t12-,13+,14-,15-,16+,17-/m1/s1
InChIKey CGRRCVHLIZTGKS-IZKTWJBDSA-N
Mol Weight 401.37 g/mol
Molecular Formula C17H23NO10
Exact Mass 401.132196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIpIZM56rHu
Name (1R,2S,3R,4S,5R,6R)-5-Acetamido-1-(acetoxymethyl)-7-oxabicyclo[4.1.0] heptane-2,3,4-triyl triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO10
InChI InChI=1S/C17H23NO10/c1-7(19)18-12-13(25-9(3)21)14(26-10(4)22)16(27-11(5)23)17(15(12)28-17)6-24-8(2)20/h12-16H,6H2,1-5H3,(H,18,19)/t12-,13+,14-,15-,16+,17-/m1/s1
InChIKey CGRRCVHLIZTGKS-IZKTWJBDSA-N
Molecular Weight 401.368 g/mol
SMILES N([C@]1([C@@]2([C@@](O2)([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])COC(=O)C)[H])[H])C(=O)C
SPLASH splash10-003x-9400000000-1381cfcf9228cbbc28c7
Source of Spectrum F-69-7035-12
Synonyms (1R,2S,3R,4S,5R,6R)-5-acetamido-1-(acetoxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triyl triacetate Acetic acid [(1R,2R,3S,4R,5S,6R)-2-acetamido-3,4,5-triacetyloxy-7-oxabicyclo[4.1.0]heptan-6-yl]methyl ester [(1R,2R,3S,4R,5S,6R)-2-acetamido-3,4,5-triacetyloxy-7-oxabicyclo[4.1.0]heptan-6-yl]methyl acetate [(1R,2R,3S,4R,5S,6R)-2-acetamido-3,4,5-triacetoxy-7-oxabicyclo[4.1.0]heptan-6-yl]methyl acetate [(1R,2R,3S,4R,5S,6R)-2-acetamido-3,4,5-triacetyloxy-7-oxabicyclo[4.1.0]heptan-6-yl]methyl ethanoate
Wiley ID 1738459