YAC_1D (Compound 7) Tephrinone.tocsy
URL: https://nmrxiv.org/D2205
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_1D (Compound 7) Tephrinone.tocsy
Chemical Info
| InChI |
InChI=1S/C21H22O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-9,12,18,23H,10-11H2,1-3H3 |
| SMILES |
COC1=C(CC=C(C)C)C2=C(C(=O)CC(C3=CC=CC=C3)O2)C(O)=C1 |
| InChI Key |
NISHDQWTPMJBJI-UHFFFAOYSA-N |
| Molecular Formula |
C21H22O4 |
| Exact Mass |
338.400 g/mol |
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