| SpectraBase Compound ID | 9BW4Fa15qYj |
|---|---|
| InChI | InChI=1S/C21H30O10/c1-18(2)25-8-9-12(28-18)10(22)11(23)16(26-9)27-17-13-20(5)14(30-20)15-21(13,6-7-24-17)31-19(3,4)29-15/h6-7,9-17,22-23H,8H2,1-5H3/t9-,10-,11-,12-,13?,14+,15-,16+,17+,20-,21+/m1/s1 |
| InChIKey | OQWNNNNNEOITBT-MLACLTRFSA-N |
| Mol Weight | 442.46 g/mol |
| Molecular Formula | C21H30O10 |
| Exact Mass | 442.183897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXdHyFLwjh4 |
|---|---|
| Name | 5,6:4',6'-DIO-ISOPROPYLIDENEANTIRRHINOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O10 |
| InChI | InChI=1S/C21H30O10/c1-18(2)25-8-9-12(28-18)10(22)11(23)16(26-9)27-17-13-20(5)14(30-20)15-21(13,6-7-24-17)31-19(3,4)29-15/h6-7,9-17,22-23H,8H2,1-5H3/t9-,10-,11-,12-,13?,14+,15-,16+,17+,20-,21+/m1/s1 |
| InChIKey | OQWNNNNNEOITBT-MLACLTRFSA-N |
| Literature Reference Author | H.FRANZYK,S.M.FREDERIKSEN,S.R.JENSEN |
| Literature Reference Citation | J.NAT.PROD.,60,1012(1997) |
| Literature Reference DOI | 10.1021/np9702648 |
| Molecular Weight | 442.463 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCS23434 |