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Ethyl 6-o-N-heptoyl-.beta,D-glucopyranoside

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Ethyl 6-o-N-heptoyl-.beta,D-glucopyranoside
SpectraBase Compound ID 3xViFCYDBOV
InChI InChI=1S/C16H30O7/c1-3-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(23-11)21-4-2/h11,13-16,18-20H,3-10H2,1-2H3/t11?,13-,14-,15?,16+/m0/s1
InChIKey FRRTUORTQMIGRP-UKTBERIZSA-N
Mol Weight 334.41 g/mol
Molecular Formula C16H30O7
Exact Mass 334.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RpTo9l2u7O
Name Ethyl 6-o-N-heptoyl-.beta,D-glucopyranoside
Comments Computed using HOSE algorithm
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Exact Mass 334.199153299 u
Formula C16H30O7
InChI InChI=1S/C16H30O7/c1-3-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(23-11)21-4-2/h11,13-16,18-20H,3-10H2,1-2H3/t11?,13-,14-,15?,16+/m0/s1
InChIKey FRRTUORTQMIGRP-UKTBERIZSA-N
Molecular Weight 334.409 g/mol
SMILES C1([C@]([C@@](O)(C(O[C@]1(OCC)[H])COC(=O)CCCCCCC)[H])(O)[H])O