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D-Glycero-D-allo-heptonamide, 3,6-anhydro-4,5-o-(1-methylethylidene)-7-o-(phenylmethyl)-, 2-acetate

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D-Glycero-D-allo-heptonamide, 3,6-anhydro-4,5-o-(1-methylethylidene)-7-o-(phenylmethyl)-, 2-acetate
SpectraBase Compound ID 85pbDMtSBQN
InChI InChI=1S/C19H25NO7/c1-11(21)24-17(18(20)22)15-16-14(26-19(2,3)27-16)13(25-15)10-23-9-12-7-5-4-6-8-12/h4-8,13-17H,9-10H2,1-3H3,(H2,20,22)
InChIKey FLSNVJUWUNXSNJ-UHFFFAOYSA-N
Mol Weight 379.41 g/mol
Molecular Formula C19H25NO7
Exact Mass 379.163102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33nUQXaykZu
Name D-Glycero-D-allo-heptonamide, 3,6-anhydro-4,5-o-(1-methylethylidene)-7-o-(phenylmethyl)-, 2-acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.163102142 u
Formula C19H25NO7
InChI InChI=1S/C19H25NO7/c1-11(21)24-17(18(20)22)15-16-14(26-19(2,3)27-16)13(25-15)10-23-9-12-7-5-4-6-8-12/h4-8,13-17H,9-10H2,1-3H3,(H2,20,22)
InChIKey FLSNVJUWUNXSNJ-UHFFFAOYSA-N
Molecular Weight 379.409 g/mol
SMILES C1(C2C(OC(O2)(C)C)C(O1)COCC=1C=CC=CC1)C(C(=O)N)OC(=O)C