| SpectraBase Compound ID | GH7umGHChBW |
|---|---|
| InChI | InChI=1S/C22H28O14/c1-31-10-4-8-2-3-14(25)32-9(8)5-11(10)33-22-20(18(29)16(27)13(7-24)35-22)36-21-19(30)17(28)15(26)12(6-23)34-21/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22-/m0/s1 |
| InChIKey | QJGJAMWLRCWSIH-UFWGDKNZSA-N |
| Mol Weight | 516.45 g/mol |
| Molecular Formula | C22H28O14 |
| Exact Mass | 516.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IKSA0j19pjF |
|---|---|
| Name | SCOPOLETIN_7-O-BETA-D-SOPHOROSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O14 |
| InChI | InChI=1S/C22H28O14/c1-31-10-4-8-2-3-14(25)32-9(8)5-11(10)33-22-20(18(29)16(27)13(7-24)35-22)36-21-19(30)17(28)15(26)12(6-23)34-21/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21+,22-/m0/s1 |
| InChIKey | QJGJAMWLRCWSIH-UFWGDKNZSA-N |
| Literature Reference Author | M.A.MOHAMED,M.S.A.MARZOUK,F.A.MOHARRAM,M.M.EL-SAYED,A.R.BAIU OMY |
| Literature Reference Citation | PHYTOCHEM.,66,2780(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.07.019 |
| Molecular Weight | 516.456 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ19801 |