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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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZBG0HEDdY2
Name (1R,2S,3R,4S,5R,6R)-5-Acetamido-1-(acetoxymethyl)-7-oxabicyclo[4.1.0] heptane-2,3,4-triyl triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.132195935 u
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 [C@@]12([C@@]([C@](NC(=O)C)([C@@]([C@]([C@@]2(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])(O1)[H])COC(=O)C