| SpectraBase Compound ID | 3EiArn5AAa4 |
|---|---|
| InChI | InChI=1S/C26H38O4/c1-15(11-25(30-4)16(2)27)22-7-8-23-21-14-24(29)18-12-17(5-6-19(28)13-18)20(21)9-10-26(22,23)3/h5,11,14,16,18-20,22-23,25,27-28H,6-10,12-13H2,1-4H3/b15-11+/t16-,18-,19-,20+,22?,23-,25-,26+/m0/s1 |
| InChIKey | KJZPRGNCDGAUNA-SBKWBWKESA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C26H38O4 |
| Exact Mass | 414.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TCnL9xJPEM |
|---|---|
| Name | THREO-23-O-METHYLNEOCYCLOCITRINOL;EPIMER_1 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O4 |
| InChI | InChI=1S/C26H38O4/c1-15(11-25(30-4)16(2)27)22-7-8-23-21-14-24(29)18-12-17(5-6-19(28)13-18)20(21)9-10-26(22,23)3/h5,11,14,16,18-20,22-23,25,27-28H,6-10,12-13H2,1-4H3/b15-11+/t16-,18-,19-,20+,22?,23-,25-,26+/m0/s1 |
| InChIKey | KJZPRGNCDGAUNA-SBKWBWKESA-N |
| Literature Reference Author | L.DU,T.ZHU,Y.FANG,Q.GU,W.ZHU |
| Literature Reference Citation | J.NAT.PROD.,71,1343(2008) |
| Literature Reference DOI | 10.1021/np8000442 |
| Molecular Weight | 414.585 g/mol |
| Sample ID | 28439 |
| Solvent | DMSO-D6 |