| SpectraBase Compound ID | 95K2AFV1nyl |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-18(2)19-9-14-29(25(33)34)15-16-30(17-31)20(24(19)29)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20?,21?,22?,23-,24?,27-,28+,29-,30-/m0/s1 |
| InChIKey | KWUXNWWMRBXQRC-LGRPFMQUSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uYrdH2mnK3 |
|---|---|
| Name | CYLICODISCIC-ACID |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-18(2)19-9-14-29(25(33)34)15-16-30(17-31)20(24(19)29)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20?,21?,22?,23-,24?,27-,28+,29-,30-/m0/s1 |
| InChIKey | KWUXNWWMRBXQRC-LGRPFMQUSA-N |
| Literature Reference Author | D.A.G.CORTEZ,M.C.M.YOUNG,A.MARSTON,J.L.WOLFENDER,K.HOSTETTMA NN |
| Literature Reference Citation | PHYTOCHEM.,47,1367(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00731-0 |
| Molecular Weight | 472.709 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS757 |