Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C42H39NO6/c1-44-34-19-22-40(47-4)37(25-34)28-7-13-31(14-8-28)43(32-15-9-29(10-16-32)38-26-35(45-2)20-23-41(38)48-5)33-17-11-30(12-18-33)39-27-36(46-3)21-24-42(39)49-6/h7-27H,1-6H3 |
---|---|
SMILES | COc1ccc(cc1c1ccc(cc1)N(c1ccc(cc1)c1cc(OC)ccc1OC)c1ccc(cc1)c1cc(OC)ccc1OC)OC |
InChI Key | HMNUSVRULYZYKH-UHFFFAOYSA-N |
Molecular Formula | C42H39NO6 |
Exact Mass | 653.762 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/HMNUSVRULYZYKH-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HMNUSVRULYZYKH-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Ksenia Kutonova |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T02:46:03.045696 |
MetadataModified | 2024-09-07T17:25:26.907510 |
MetadataPublished | 2020-04-02 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
146018016 | PubChem |
The data in this table is sourced from UniChem at EBI. |