| SpectraBase Compound ID | 77tONAdhyas |
|---|---|
| InChI | InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)27)3-5-16(28)35-10-25-17-12(18(29)22(25)38-25)6-7-34-23(17)37-24-21(32)20(31)19(30)15(9-26)36-24/h2-8,12,15,17-24,26-27,29-32H,9-10H2,1H3/b5-3+/t12-,15+,17-,18+,19+,20-,21+,22+,23+,24-,25-/m1/s1 |
| InChIKey | MHOWDNRHZPJFFZ-BOHRBDBLSA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C25H30O13 |
| Exact Mass | 538.168641 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LAmhfF7vZU |
|---|---|
| Name | 10-O-TRANS-PARA-ISOFERULOYL-CATALPOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H30O13 |
| InChI | InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)27)3-5-16(28)35-10-25-17-12(18(29)22(25)38-25)6-7-34-23(17)37-24-21(32)20(31)19(30)15(9-26)36-24/h2-8,12,15,17-24,26-27,29-32H,9-10H2,1H3/b5-3+/t12-,15+,17-,18+,19+,20-,21+,22+,23+,24-,25-/m1/s1 |
| InChIKey | MHOWDNRHZPJFFZ-BOHRBDBLSA-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 | 538.505 g/mol |
| Sample ID | 65357 |
| Solvent | CD3OD |