YAC_1D (Compound 7) Tephrinone.
Dataset description:
A secondary metabolite determined by NMR spectroscopic, mass spectrometric, and single-crystal X-ray diffractometric analyses.
Source: YAC_1D (Compound 7) Tephrinone.
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 |
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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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Additional Information
Field | Value |
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Data last updated | May 15, 2024 |
Metadata last updated | May 15, 2024 |
Created | May 15, 2024 |
Format | HTML |
License | Attribution 4.0 International |
Id | 2f7b9ea8-ee59-46ae-b208-70586cf3ab68 |
Package id | nmrxiv-d2210 |
Resource type | HTML |
State | active |