(-)-Epigallocatechin gallate 400 MHz in DMSOd6...
Dataset description:
NMR data of (-)-epigallocatechin gallate in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400 MHz (Jeol 400 MHz spectrometer with Royal Probe)...
Source: (-)-Epigallocatechin gallate 400 MHz in DMSOd6 NMR data.2d
Chemical Info
| InChI | InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 |
|---|---|
| SMILES | O=C(O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1 |
| InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
| Molecular Formula | C22H18O11 |
| Exact Mass | 458.400 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 | CC0 1.0 Legal Code |
| Id | 970b3d46-070c-4d80-aa79-7613ff0541a9 |
| Package id | nmrxiv-d1041 |
| Resource type | HTML |
| State | active |