Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C20H24O9S/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1 |
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SMILES | CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C |
InChI Key | JCKOUAWEMPKIAT-OBKDMQGPSA-N |
Molecular Formula | C20H24O9S |
Exact Mass | 440.464 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/HHCOSY/CDCl3 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JCKOUAWEMPKIAT-OBKDMQGPSA-N/NMR/HHCOSY/CDCl3 |
Version | |
Author | Marco Mende |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T00:08:49.129900 |
MetadataModified | 2024-09-07T13:39:14.688533 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
6364823 | PubChem |
SCHEMBL1029421 | SureChEMBL |
J1.036.457D | Nikkaji |
KOGNIF | CCDC |
MCULE-3899005349 | Mcule |
ZINC000008647943 | ZINC |
16150358 | PubChem: Thomson Pharma |
517154 | eMolecules |
CB1372579 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |