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3,5,6-TRI-O-ACETYL-1,4-ANHYDRO-2-O-(3,5,6-TRI-O-ACETYL-1,4-ANHYDRO-2-O-)-BUT-2-ENYL-D-SORBITOL
SpectraBase Compound ID 1QET4Jp7HFt
InChI InChI=1S/C28H40O16/c1-15(29)37-13-23(41-17(3)31)25-27(43-19(5)33)21(11-39-25)35-9-7-8-10-36-22-12-40-26(28(22)44-20(6)34)24(42-18(4)32)14-38-16(2)30/h7-8,21-28H,9-14H2,1-6H3/b8-7+/t21-,22-,23+,24+,25+,26+,27+,28+/m0/s1
InChIKey PCYCPUBFFUFUKB-XIMNXDOYSA-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 J7cdZl9uI1n
Name 3,5,6-TRI-O-ACETYL-1,4-ANHYDRO-2-O-(3,5,6-TRI-O-ACETYL-1,4-ANHYDRO-2-O-)-BUT-2-ENYL-D-SORBITOL
Compound Number 1 8
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)37-13-23(41-17(3)31)25-27(43-19(5)33)21(11-39-25)35-9-7-8-10-36-22-12-40-26(28(22)44-20(6)34)24(42-18(4)32)14-38-16(2)30/h7-8,21-28H,9-14H2,1-6H3/b8-7+/t21-,22-,23+,24+,25+,26+,27+,28+/m0/s1
InChIKey PCYCPUBFFUFUKB-XIMNXDOYSA-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 UWBT17519