Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C30H38O9S/c1-5-40-30-29(37-21(3)32)28(36-18-22-9-7-6-8-10-22)27(39-26(33)16-11-20(2)31)25(38-30)19-35-17-23-12-14-24(34-4)15-13-23/h6-10,12-15,25,27-30H,5,11,16-19H2,1-4H3/t25-,27-,28+,29-,30+/m1/s1
SMILES	CCS[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)OC(=O)CCC(=O)C
InChI Key	HCFDSKUYXTUZNC-TWZZTNFBSA-N
Molecular Formula	C30H38O9S
Exact Mass	574.682 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/HCFDSKUYXTUZNC-TWZZTNFBSA-N/NMR/13C/CDCl3/100
License URL
Source	https://www.chemotion-repository.net/inchikey/HCFDSKUYXTUZNC-TWZZTNFBSA-N/NMR/13C/CDCl3/100
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:53:43.741917
MetadataModified	2024-09-07T12:17:05.273263
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
73427308	PubChem
The data in this table is sourced from UniChem at EBI.