Capsanthin.noesy
Dataset description:
This dataset contains NMR spectra obtained for the sample -Capsanthin date: 2005-12-02T17:04:25.000Z isFt: true name: Capsanthin/1 phc0: -135.5048 phc1: -16.4 type: NMR FID DECIM: 32...
Source: Capsanthin.noesy
Chemical Info
| InChI | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35-,40-/m0/s1 |
|---|---|
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 |
| InChI Key | VYIRVAXUEZSDNC-NXPVNTPISA-N |
| Molecular Formula | C40H56O3 |
| Exact Mass | 584.900 g/mol |
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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 4.0 International |
| Id | 763dc4cf-526c-447e-a893-7625b8ceb4da |
| Package id | nmrxiv-d1514 |
| Resource type | HTML |
| State | active |