S5-2_SODXXI_113_FULL_UPPER_SPOT_06_28_2022-CPS5-2.hmbc
Dataset description:
This dataset contains NMR spectra obtained for the sample -S5-2_SODXXI_113_FULL_UPPER_SPOT_06_28_2022-CPS5-2 date: 2022-06-29T03:32:31.000Z isFt: true name:...
Source: S5-2_SODXXI_113_FULL_UPPER_SPOT_06_28_2022-CPS5-2.hmbc
Chemical Info
| InChI | InChI=1S/C22H32O5/c1-12(23)25-15-10-14-4-5-16-17-6-7-19(26-13(2)24)21(17,3)9-8-18(16)22(14)20(11-15)27-22/h14-20H,4-11H2,1-3H3 |
|---|---|
| SMILES | CC(=O)OC1CC2CCC3C4CCC(OC(C)=O)C4(C)CCC3C23OC3C1 |
| InChI Key | NTIJFRGYDKYQPV-UHFFFAOYSA-N |
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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-NonCommercial-ShareAlike 4.0 International |
| Id | 11e73501-0f20-43b3-9523-81d1ea0de5f9 |
| Package id | nmrxiv-d2953 |
| Resource type | HTML |
| State | active |