CB2.hsqc
Dataset description:
This dataset contains NMR spectra obtained for the sample -CB2 date: 2022-01-19T14:00:43.000Z isFt: false name: CB2/0 phc0: -18.4483 phc1: -178.5819 type: NMR FID DECIM: 640 aqMod: 3...
Source: CB2.hsqc
Chemical Info
| InChI | InChI=1S/C30H39NO5/c1-19-10-8-14-23(32)16-17-26(33)36-30-24(15-9-11-19)28(34)21(3)20(2)27(30)25(31(4)29(30)35)18-22-12-6-5-7-13-22/h5-7,9,12-13,15-17,19-20,23-25,27-28,32,34H,3,8,10-11,14,18H2,1-2,4H3/b15-9+,17-16+/t19-,20-,23-,24+,25+,27+,28-,30-/m1/s1 |
|---|---|
| SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N(C)C(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O |
| InChI Key | WQSUAPXZJHJOOD-PSOOFVECSA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | April 22, 2024 |
| Metadata last updated | April 22, 2024 |
| Created | April 22, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-NoDerivs 4.0 International |
| Id | a993fdcb-f1a6-4c7c-8a4d-39756746f9b3 |
| Package id | nmrxiv-d2103 |
| Resource type | HTML |
| State | active |