| SpectraBase Compound ID | Dz8uq1XY5PK |
|---|---|
| InChI | InChI=1S/C17H26O12/c1-26-14(24)6-4-27-15(10-9(6)7(20)2-17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,7-13,15-16,18-23,25H,2-3,5H2,1H3/t7?,8-,9?,10?,11-,12+,13-,15?,16+,17?/m0/s1 |
| InChIKey | TZVOANVHPCUBIU-SGUKTWLSSA-N |
| Mol Weight | 422.38 g/mol |
| Molecular Formula | C17H26O12 |
| Exact Mass | 422.142426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0wdePi4vM |
|---|---|
| Name | Unedide methyl ester |
| CAS Registry Number | 80680-44-0 |
| Comments | C16 SIGNAL ASSIGNED TO 61.5 PPM |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C17H26O12 |
| InChI | InChI=1S/C17H26O12/c1-26-14(24)6-4-27-15(10-9(6)7(20)2-17(10,25)5-19)29-16-13(23)12(22)11(21)8(3-18)28-16/h4,7-13,15-16,18-23,25H,2-3,5H2,1H3/t7?,8-,9?,10?,11-,12+,13-,15?,16+,17?/m0/s1 |
| InChIKey | TZVOANVHPCUBIU-SGUKTWLSSA-N |
| Literature Reference | S. Damtoft, S. Jensen, Phytochem. 20, 2717 (1981). |
| NMR Standard | see comment |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |