| SpectraBase Compound ID | BXzZIcBA38Z |
|---|---|
| InChI | InChI=1S/C32H48O8/c1-8-10-11-12-13-14-28(36)39-24-18-25-29(37-22(5)33)40-30(38-23(6)34)32(25)26(19-24)31(7,16-15-20(3)9-2)21(4)17-27(32)35/h9,15,18,21,24,26-27,29-30,35H,2,8,10-14,16-17,19H2,1,3-7H3/b20-15+/t21-,24+,26+,27-,29+,30+,31-,32-/m0/s1 |
| InChIKey | JSRNYFZABVRKOO-NTXOAMNBSA-N |
| Mol Weight | 560.7 g/mol |
| Molecular Formula | C32H48O8 |
| Exact Mass | 560.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ifu7jWO3JRj |
|---|---|
| Name | 6-BETA-HYDROXYZUELANIN-2-BETA-N-OCTANOATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O8 |
| InChI | InChI=1S/C32H48O8/c1-8-10-11-12-13-14-28(36)39-24-18-25-29(37-22(5)33)40-30(38-23(6)34)32(25)26(19-24)31(7,16-15-20(3)9-2)21(4)17-27(32)35/h9,15,18,21,24,26-27,29-30,35H,2,8,10-14,16-17,19H2,1,3-7H3/b20-15+/t21-,24+,26+,27-,29+,30+,31-,32-/m0/s1 |
| InChIKey | JSRNYFZABVRKOO-NTXOAMNBSA-N |
| Literature Reference Author | M.R.KHAN,A.I.GRAY,P.G.WATERMAN |
| Literature Reference Citation | PHYTOCHEM.,29,2939(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)87110-G |
| Molecular Weight | 560.728 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17734 |