YAC_3D (Compound 21) Tephrowatsin A.tocsy
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Chemical Info
| InChI | InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3 |
|---|---|
| SMILES | COC1=CC(OC)=C2C(=C1CC=C(C)C)OC(C1=CC=CC=C1)CC2O |
| InChI Key | ADIMMCHZVYYGPW-UHFFFAOYSA-N |
| Exact Mass | 354.400 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 3, 2025 |
| Metadata last updated | February 3, 2025 |
| Created | February 3, 2025 |
| Format | HTML |
| License | Attribution 4.0 International |
| Id | 6e961a63-0e8a-4e49-af85-79075118d666 |
| Package id | nmrxiv-d2260 |
| Resource type | HTML |
| State | active |