| SpectraBase Compound ID | A1tI3gU3TjJ |
|---|---|
| InChI | InChI=1S/C28H38O4/c1-19(9-10-21-17-22(30-7)16-20(2)24(21)29)15-23-18-26(5)11-8-12-27(26,6)28(31-23)14-13-25(3,4)32-28/h9,13-14,16-18,29H,8,10-12,15H2,1-7H3/b19-9+/t26-,27-,28+/m0/s1 |
| InChIKey | QLZXRBQCYQJZLU-YISAMVNISA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C28H38O4 |
| Exact Mass | 438.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2fYXaRcPT5V |
|---|---|
| Name | (7S,11S,12R)-CYSTOKETAL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O4 |
| InChI | InChI=1S/C28H38O4/c1-19(9-10-21-17-22(30-7)16-20(2)24(21)29)15-23-18-26(5)11-8-12-27(26,6)28(31-23)14-13-25(3,4)32-28/h9,13-14,16-18,29H,8,10-12,15H2,1-7H3/b19-9+/t26-,27-,28+/m0/s1 |
| InChIKey | QLZXRBQCYQJZLU-YISAMVNISA-N |
| Literature Reference Author | D.W.LAIRD,I.A.V.ALTENA |
| Literature Reference Citation | PHYTOCHEM.,67,944(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.03.011 |
| Molecular Weight | 438.607 g/mol |
| Sample ID | 66227 |
| Solvent | CDCl3 |