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1,4-ANHYDRO-3,5,6-TRI-O-ORTHOACETYL-2-O-(1,4-ANHYDRO-3,5,6-TRI-O-ORTHOACETYL-2-O-)-BUT-1-ENYL-D-SORBITOL
SpectraBase Compound ID Gwy3QhI0qvL
InChI InChI=1S/2C20H28O10/c2*1-19-25-9-13(27-19)15-17(29-19)11(7-23-15)21-5-3-4-6-22-12-8-24-16-14-10-26-20(2,28-14)30-18(12)16/h2*3,5,11-18H,4,6-10H2,1-2H3/b5-3+;5-3-/t2*11-,12-,13-,14-,15+,16+,17+,18+,19?,20?/m11/s1
InChIKey NNTGXSPMBOHJIC-CKHJBXEISA-N
Mol Weight 856.87 g/mol
Molecular Formula C40H56O20
Exact Mass 856.336494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CI2TZzKhMeY
Name 1,4-ANHYDRO-3,5,6-TRI-O-ORTHOACETYL-2-O-(1,4-ANHYDRO-3,5,6-TRI-O-ORTHOACETYL-2-O-)-BUT-1-ENYL-D-SORBITOL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H56O20
InChI InChI=1S/2C20H28O10/c2*1-19-25-9-13(27-19)15-17(29-19)11(7-23-15)21-5-3-4-6-22-12-8-24-16-14-10-26-20(2,28-14)30-18(12)16/h2*3,5,11-18H,4,6-10H2,1-2H3/b5-3+;5-3-/t2*11-,12-,13-,14-,15+,16+,17+,18+,19?,20?/m11/s1
InChIKey NNTGXSPMBOHJIC-CKHJBXEISA-N
Literature Reference Author M.TOBER,J.THIEM
Literature Reference Citation EUR.J.ORG.CHEM.,2013,566(2013)
Literature Reference DOI 10.1002/ejoc.201201083
Molecular Weight 856.873 g/mol
Solvent DMSO-D6
Source File Reference UWBT17515