| SpectraBase Compound ID | LGr1P8fdQHS |
|---|---|
| InChI | InChI=1S/C23H30O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h2,8,12,15-19,25-26,28H,3-7,9-11H2,1H3/t15-,16+,17-,18-,19-,21-,22-,23+/m1/s1 |
| InChIKey | FJXWBXGFWCHFFE-SZNBYBCESA-N |
| Mol Weight | 402.49 g/mol |
| Molecular Formula | C23H30O6 |
| Exact Mass | 402.204239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8sY6Xs2dGJy |
|---|---|
| Name | 5,6-DIHYDROCALOTROPIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30O6 |
| InChI | InChI=1S/C23H30O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h2,8,12,15-19,25-26,28H,3-7,9-11H2,1H3/t15-,16+,17-,18-,19-,21-,22-,23+/m1/s1 |
| InChIKey | FJXWBXGFWCHFFE-SZNBYBCESA-N |
| Literature Reference Author | H.EL-ASKARY,J.HOELZL,S.HILAL,E.S.EL-KASHOURY |
| Literature Reference Citation | PHYTOCHEM.,38,943(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00606-T |
| Molecular Weight | 402.488 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS3809 |