Dataset

1H nuclear magnetic resonance spectroscopy (1H 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

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HCFDSKUYXTUZNC-TWZZTNFBSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/HCFDSKUYXTUZNC-TWZZTNFBSA-N/NMR/1H/CDCl3/400
Version
Author	Benjamin Goerling
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:54:03.122885
MetadataModified	2024-09-07T12:17:08.870123
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H 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.