Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C26H34O11/c1-6-13-33-26-25(35-18(4)29)24(34-17(3)28)23(37-22(30)12-7-16(2)27)21(36-26)15-32-14-19-8-10-20(31-5)11-9-19/h6,8-11,21,23-26H,1,7,12-15H2,2-5H3/t21-,23-,24+,25-,26-/m1/s1
SMILES	C=CCO[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)CCC(=O)C
InChI Key	GQKJGJKLYRNJIU-XDXGNBCUSA-N
Molecular Formula	C26H34O11
Exact Mass	522.542 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/GQKJGJKLYRNJIU-XDXGNBCUSA-N/NMR/1H/CDCl3/300
License URL
Source	https://www.chemotion-repository.net/inchikey/GQKJGJKLYRNJIU-XDXGNBCUSA-N/NMR/1H/CDCl3/300
Version
Author	Marco Mende
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:00:58.946349
MetadataModified	2024-09-07T13:27:33.413673
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427501	PubChem
The data in this table is sourced from UniChem at EBI.