Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C25H32O7S/c1-4-33-25-24(31-17(2)26)23(30-15-18-8-6-5-7-9-18)22(27)21(32-25)16-29-14-19-10-12-20(28-3)13-11-19/h5-13,21-25,27H,4,14-16H2,1-3H3/t21-,22-,23+,24-,25+/m1/s1
SMILES	CCS[C@@H]1O[C@H](COCc2ccc(cc2)OC)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)O
InChI Key	GJKFWXCOBDISCW-RXFVIIJJSA-N
Molecular Formula	C25H32O7S
Exact Mass	476.582 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.14272/GJKFWXCOBDISCW-RXFVIIJJSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/GJKFWXCOBDISCW-RXFVIIJJSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:44:31.455751
MetadataModified	2024-09-07T12:11:11.388308
MetadataPublished	2014-05-27

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

Data-Source Molecule ID	Data-Source
73427296	PubChem
The data in this table is sourced from UniChem at EBI.