| SpectraBase Compound ID | BeSCseVhCgb |
|---|---|
| InChI | InChI=1S/C25H30N2O13/c1-10(22(33)34)4-12-7-17(39-25-21(32)20(31)19(30)18(9-28)40-25)16(29)8-13(12)26-3-2-11-5-14(23(35)36)27-15(6-11)24(37)38/h2-3,5,7-8,10,15,18-21,25,27-32H,4,6,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/p+1/b11-2+,26-3+/t10-,15-,18+,19+,20-,21+,25+/m0/s1 |
| InChIKey | IPIMWOODIWSPPC-LBRLOOKTSA-O |
| Mol Weight | 567.52 g/mol |
| Molecular Formula | C25H31N2O13 |
| Exact Mass | 567.182614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L5fvolD4UgD |
|---|---|
| Name | ISOBETANIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31N2O13 |
| InChI | InChI=1S/C25H30N2O13/c1-10(22(33)34)4-12-7-17(39-25-21(32)20(31)19(30)18(9-28)40-25)16(29)8-13(12)26-3-2-11-5-14(23(35)36)27-15(6-11)24(37)38/h2-3,5,7-8,10,15,18-21,25,27-32H,4,6,9H2,1H3,(H,33,34)(H,35,36)(H,37,38)/p+1/b11-2+,26-3+/t10-,15-,18+,19+,20-,21+,25+/m0/s1 |
| InChIKey | IPIMWOODIWSPPC-LBRLOOKTSA-O |
| Literature Reference Author | F.C.STINTZING,J.CONRAD,I.KLAIBER,U.BEIFUSS,R.CARLE |
| Literature Reference Citation | PHYTOCHEM.,65,415(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2003.10.029 |
| Molecular Weight | 567.527 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU34590 |