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METHYL_4,6-BENZYLIDENE-2-DEOXY-2-C-METHYL-2-C-PROPENYL-ALPHA-D-ERYTHRO-HEXOPYRANOSID-3-ULOSE
SpectraBase Compound ID 3bLXtJQRCXL
InChI InChI=1S/C18H22O5/c1-4-10-18(2)15(19)14-13(22-17(18)20-3)11-21-16(23-14)12-8-6-5-7-9-12/h4-9,13-14,16-17H,1,10-11H2,2-3H3/t13-,14-,16-,17+,18-/m1/s1
InChIKey BOHNQMGXCMDPHU-HUMVNOLHSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeyaK5LyXrZ
Name METHYL_4,6-BENZYLIDENE-2-DEOXY-2-C-METHYL-2-C-PROPENYL-ALPHA-D-ERYTHRO-HEXOPYRANOSID-3-ULOSE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-4-10-18(2)15(19)14-13(22-17(18)20-3)11-21-16(23-14)12-8-6-5-7-9-12/h4-9,13-14,16-17H,1,10-11H2,2-3H3/t13-,14-,16-,17+,18-/m1/s1
InChIKey BOHNQMGXCMDPHU-HUMVNOLHSA-N
Literature Reference Author A.J.WOOD,D.J.HOLT,M.C.DOMINGUEZ,P.R.JENKINS
Literature Reference Citation J.ORG.CHEM.,63,8522(1998)
Literature Reference DOI 10.1021/jo981225j
Molecular Weight 318.370 g/mol
Sample ID 26854
Solvent CDCl3