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METHYL-2-DEOXY-2-C-(PHENYLETHYNYL)-3,4,5,7-TETRA-O-BENZYL-ALPHA-D-ARABINO-HEPT-2-ENO-SEPTANOSIDE
SpectraBase Compound ID L9Gzc3Ef1Id
InChI InChI=1S/C44H42O6/c1-45-44-39(28-27-34-17-7-2-8-18-34)41(47-30-36-21-11-4-12-22-36)43(49-32-38-25-15-6-16-26-38)42(48-31-37-23-13-5-14-24-37)40(50-44)33-46-29-35-19-9-3-10-20-35/h2-26,40,42-44H,29-33H2,1H3/t40-,42-,43-,44+/m1/s1
InChIKey LKWUZDWLECOXKJ-QCMOSSPHSA-N
Mol Weight 666.8 g/mol
Molecular Formula C44H42O6
Exact Mass 666.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XsOenHiY7A
Name METHYL-2-DEOXY-2-C-(PHENYLETHYNYL)-3,4,5,7-TETRA-O-BENZYL-ALPHA-D-ARABINO-HEPT-2-ENO-SEPTANOSIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H42O6
InChI InChI=1S/C44H42O6/c1-45-44-39(28-27-34-17-7-2-8-18-34)41(47-30-36-21-11-4-12-22-36)43(49-32-38-25-15-6-16-26-38)42(48-31-37-23-13-5-14-24-37)40(50-44)33-46-29-35-19-9-3-10-20-35/h2-26,40,42-44H,29-33H2,1H3/t40-,42-,43-,44+/m1/s1
InChIKey LKWUZDWLECOXKJ-QCMOSSPHSA-N
Literature Reference Author S.DEY,N.JAYARAMAN
Literature Reference Citation BEIL.J.ORG.CHEM.,8,522(2012)
Literature Reference DOI 10.3762/bjoc.8.59
Molecular Weight 666.814 g/mol
Solvent CDCl3
Source File Reference UWIR10424