| SpectraBase Compound ID | 9y3u5jdTJdT |
|---|---|
| InChI | InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12?,14+,15+,16?,17+,18-,19+,22+,23-/m1/s1 |
| InChIKey | MFWOJWBKCUMOEM-XLEAXWFYSA-N |
| Mol Weight | 496.47 g/mol |
| Molecular Formula | C23H28O12 |
| Exact Mass | 496.158076 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IP2fhpY9jkR |
|---|---|
| Name | AQUATICOSIDE-B;6'-O-PARA-HYDROXYBENZOYL-8-EPILOGANIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O12 |
| InChI | InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12?,14+,15+,16?,17+,18-,19+,22+,23-/m1/s1 |
| InChIKey | MFWOJWBKCUMOEM-XLEAXWFYSA-N |
| Literature Reference Author | U.S.HARPUT,M.VAREL,A.NAGATSU,I.SARACOGLU |
| Literature Reference Citation | PHYTOCHEM.,65,2135(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.05.012 |
| Molecular Weight | 496.468 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN30013 |