CB4.c13
Dataset description:
This dataset contains NMR spectra obtained for the sample -CB4 date: 2023-12-29T09:56:40.000Z isFt: false name: CB4/2 phc0: 82.9 phc1: 0 type: NMR FID DECIM: 1680 aqMod: 3 isFid: true...
Source: CB4.c13
Chemical Info
| InChI | InChI=1S/C31H39NO6/c1-19-10-8-14-24(37-22(4)33)16-17-27(34)38-31-25(15-9-11-19)29(35)21(3)20(2)28(31)26(32-30(31)36)18-23-12-6-5-7-13-23/h5-7,9,12-13,15-17,19-20,24-26,28-29,35H,3,8,10-11,14,18H2,1-2,4H3,(H,32,36)/b15-9+,17-16+/t19-,20-,24-,25+,26+,28+,29-,31-/m1/s1 |
|---|---|
| SMILES | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]23OC(=O)/C=C/[C@H](OC(C)=O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O |
| InChI Key | ONELYHQKSQYDSH-QOFCDOINSA-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 | 9cdfa72f-714f-46c0-bba7-b788cf5e8ac3 |
| Package id | nmrxiv-d2125 |
| Resource type | HTML |
| State | active |