| SpectraBase Compound ID | hTUwFK7bEx |
|---|---|
| InChI | InChI=1S/C32H48O9/c1-8-10-11-12-23(35)18-28(37)40-27-15-20(4)31(7,14-13-19(3)9-2)26-17-24(36)16-25-29(38-21(5)33)41-30(32(25,26)27)39-22(6)34/h9,13,16,20,23-24,26-27,29-30,35-36H,2,8,10-12,14-15,17-18H2,1,3-7H3/b19-13+/t20-,23?,24-,26+,27+,29+,30+,31-,32-/m0/s1 |
| InChIKey | WKZFEHGQLZENOO-JGKYWKCZSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C32H48O9 |
| Exact Mass | 576.329833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZaRj4BlsvD |
|---|---|
| Name | 2-ALPHA-HYDROXYZUELANIN-6-BETA-N-(3-HYDROXY)-OCTANOATE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O9 |
| InChI | InChI=1S/C32H48O9/c1-8-10-11-12-23(35)18-28(37)40-27-15-20(4)31(7,14-13-19(3)9-2)26-17-24(36)16-25-29(38-21(5)33)41-30(32(25,26)27)39-22(6)34/h9,13,16,20,23-24,26-27,29-30,35-36H,2,8,10-12,14-15,17-18H2,1,3-7H3/b19-13+/t20-,23?,24-,26+,27+,29+,30+,31-,32-/m0/s1 |
| InChIKey | WKZFEHGQLZENOO-JGKYWKCZSA-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 | 576.728 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ17735 |