| SpectraBase Compound ID | CIjtN0u9vRg |
|---|---|
| InChI | InChI=1S/C25H31ClO12/c1-34-13-5-2-12(3-6-13)4-7-16(28)36-11-25(33)17-14(18(29)22(25)26)8-9-35-23(17)38-24-21(32)20(31)19(30)15(10-27)37-24/h2-9,14-15,17-24,27,29-33H,10-11H2,1H3/b7-4+/t14-,15+,17-,18+,19+,20-,21+,22-,23+,24-,25-/m1/s1 |
| InChIKey | RCOKYHKVZAHTJQ-TWDXQMCLSA-N |
| Mol Weight | 558.96 g/mol |
| Molecular Formula | C25H31ClO12 |
| Exact Mass | 558.150404 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BBwXXKkYUO |
|---|---|
| Name | 10-O-TRANS-PARA-METHOXYCINNAMOYL-ASYSTASIOSIDE-E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H31ClO12 |
| InChI | InChI=1S/C25H31ClO12/c1-34-13-5-2-12(3-6-13)4-7-16(28)36-11-25(33)17-14(18(29)22(25)26)8-9-35-23(17)38-24-21(32)20(31)19(30)15(10-27)37-24/h2-9,14-15,17-24,27,29-33H,10-11H2,1H3/b7-4+/t14-,15+,17-,18+,19+,20-,21+,22-,23+,24-,25-/m1/s1 |
| InChIKey | RCOKYHKVZAHTJQ-TWDXQMCLSA-N |
| Literature Reference Author | H.SUDO,T.IDE,H.OTSUKA,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,46,1231(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80017-9 |
| Molecular Weight | 558.967 g/mol |
| Sample ID | 65359 |
| Solvent | CD3OD |