Dataset
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one.noesy
Chemical Info
| InChI | InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13- |
|---|---|
| SMILES | COC1=C(O)C=CC(/C=C/C(=O)/C=C(O)/C=C/C2=CC=C(O)C(OC)=C2)=C1 |
| InChI Key | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
| Molecular Formula | C21H20O6 |
| Exact Mass | 368.400 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p42.s252.d1460 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1460 |
| Version | |
| Author | Peter Spiteller |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:53:43.032122 |
| MetadataModified | 2024-09-23T09:30:09.022921 |
| MetadataPublished | 2023-12-24 21:57:47 |
| Related Molecule |