Dataset
YAC_1R (Compound 9) Quercetol B.hsqc
Chemical Info
InChI | InChI=1S/C23H28O4/c1-15(2)11-12-17-19(24-3)14-21(26-5)22-20(25-4)13-18(27-23(17)22)16-9-7-6-8-10-16/h6-11,14,18,20H,12-13H2,1-5H3 |
---|---|
SMILES | COC1=CC(OC)=C2C(=C1CC=C(C)C)OC(C1=CC=CC=C1)CC2OC |
InChI Key | QYAYIWOQUZDATC-UHFFFAOYSA-N |
Molecular Formula | C23H28O4 |
Exact Mass | 368.500 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p62.s425.d2146 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D2146 |
Version | |
Author | Atilaw Y, Muiva-Mutisya L, Bogaerts J, Duffy S, Valkonen A, Heydenreich M, Avery VM, Rissanen K, Erdélyi M, Yenesew A. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:09:16.813821 |
MetadataModified | 2024-09-23T09:31:59.140738 |
MetadataPublished | 2024-03-05 20:39:34 |
Field | Value |
---|---|
Measurement Technique | heteronuclear single quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
74135948 | PubChem |
The data in this table is sourced from UniChem at EBI. |