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2,5,6-TRI-O-ACETYL-1,4-ANHYDRO-3-O-(2,5,6-TRI-O-ACETYL-1,4-ANHYDRO-3-O-)-BUT-2-ENYL-D-SORBITOL
SpectraBase Compound ID VVrHGthnBS
InChI InChI=1S/C28H40O16/c1-15(29)37-11-21(41-17(3)31)27-25(23(13-39-27)43-19(5)33)35-9-7-8-10-36-26-24(44-20(6)34)14-40-28(26)22(42-18(4)32)12-38-16(2)30/h7-8,21-28H,9-14H2,1-6H3/b8-7+/t21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey CJMSYDBAOFVEEJ-DWUNXRTBSA-N
Mol Weight 632.6 g/mol
Molecular Formula C28H40O16
Exact Mass 632.231635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoJyZ4rEwJG
Name 2,5,6-TRI-O-ACETYL-1,4-ANHYDRO-3-O-(2,5,6-TRI-O-ACETYL-1,4-ANHYDRO-3-O-)-BUT-2-ENYL-D-SORBITOL
Compound Number 2 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O16
InChI InChI=1S/C28H40O16/c1-15(29)37-11-21(41-17(3)31)27-25(23(13-39-27)43-19(5)33)35-9-7-8-10-36-26-24(44-20(6)34)14-40-28(26)22(42-18(4)32)12-38-16(2)30/h7-8,21-28H,9-14H2,1-6H3/b8-7+/t21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
InChIKey CJMSYDBAOFVEEJ-DWUNXRTBSA-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 632.616 g/mol
Solvent CDCl3
Source File Reference UWBT17521