| SpectraBase Compound ID | 3giAH1mAv85 |
|---|---|
| InChI | InChI=1S/C22H30O8.C22H28O8/c2*1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(27-13(4)24)14(10-23)7-16-19(17)12(3)21(26)28-16/h7,11,15-19,23H,3,6,8-10H2,1-2,4-5H3;6-7,15-19,23H,3,8-10H2,1-2,4-5H3/b14-7-;11-6-,14-7-/t11?,15-,16+,17+,18+,19?,22+;15-,16+,17+,18+,19?,22+/m00/s1 |
| InChIKey | PHWQRXNEHAYHCA-SAWMAKNPSA-N |
| Mol Weight | 842.93 g/mol |
| Molecular Formula | C44H58O16 |
| Exact Mass | 842.372486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BFf0tEy7k7 |
|---|---|
| Name | 3-ACETYL-15-HYDROXYLEPTOCARPIN;3-ACETYL-15-HYDROXY-2',3'-HYDROXYLEPTOCARPIN;MIXTURE |
| Compound Number | 6A;6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O16 |
| InChI | InChI=1S/C22H30O8.C22H28O8/c2*1-6-11(2)20(25)29-17-9-22(5)18(30-22)8-15(27-13(4)24)14(10-23)7-16-19(17)12(3)21(26)28-16/h7,11,15-19,23H,3,6,8-10H2,1-2,4-5H3;6-7,15-19,23H,3,8-10H2,1-2,4-5H3/b14-7-;11-6-,14-7-/t11?,15-,16+,17+,18+,19?,22+;15-,16+,17+,18+,19?,22+/m00/s1 |
| InChIKey | PHWQRXNEHAYHCA-SAWMAKNPSA-N |
| Literature Reference Author | A.L.C.PEREZ,O.M.LARA,A.R.D.VIVAR |
| Literature Reference Citation | PHYTOCHEM.,31,4227(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80448-N |
| Molecular Weight | 842.935 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26674 |