| SpectraBase Compound ID | LBf6N7Jy8Fw |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,26+,27+,28-,29+,30+/m0/s1 |
| InChIKey | JZFSMVXQUWRSIW-RZJUCFKDSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IjaSUAvVDj |
|---|---|
| Name | 3-EPIKATONIC-ACID |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,26+,27+,28-,29+,30+/m0/s1 |
| InChIKey | JZFSMVXQUWRSIW-RZJUCFKDSA-N |
| Literature Reference Author | R.FUJITA,H.DUAN,Y.TAKAISHI |
| Literature Reference Citation | PHYTOCHEM.,53,715(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00557-9 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU2129 |