compound 2.hsqc
Dataset description:
This dataset contains NMR spectra obtained for the sample -compound 2 date: 2020-12-03T10:29:03.000Z isFt: false name: compound 2/1 phc0: -27.14716 phc1: -15.64848 type: NMR FID DECIM:...
Source: compound 2.hsqc
Chemical Info
| InChI | InChI=1S/C31H52O4/c1-18(2)19(3)16-22(32)20(4)21-10-12-30(9)26(35)31(15-14-28(21,30)7)25(34)17-23-27(5,6)24(33)11-13-29(23,31)8/h18,20-25,32-34H,3,10-17H2,1-2,4-9H3/t20-,21?,22-,23?,24-,25+,28+,29-,30-,31-/m0/s1 |
|---|---|
| SMILES | C=C(C[C@H](O)[C@@H](C)C1CC[C@@]2(C)C(=O)[C@]3(CC[C@]12C)[C@H](O)CC1C(C)(C)[C@@H](O)CC[C@@]13C)C(C)C |
| InChI Key | KLMGBOUPTMNAOY-UUOUBEBQSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | May 15, 2024 |
| Metadata last updated | May 15, 2024 |
| Created | May 15, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 7520faf4-5741-4a20-b83c-ce8e15941ed8 |
| Package id | nmrxiv-d1985 |
| Resource type | HTML |
| State | active |