| SpectraBase Compound ID | A0kDgtdgmri |
|---|---|
| InChI | InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1 |
| InChIKey | WSTYNZDAOAEEKG-GWJSGULQSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C28H36O3 |
| Exact Mass | 420.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5BBDDT1CWPi |
|---|---|
| Name | TINGENONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O3 |
| InChI | InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1 |
| InChIKey | WSTYNZDAOAEEKG-GWJSGULQSA-N |
| Literature Reference Author | O.NGASSAPA,D.D.SOEJARTO,J.M.PEZZUTO,N.R.FARNSWORTH |
| Literature Reference Citation | J.NAT.PROD.,57,1(1994) |
| Literature Reference DOI | 10.1021/np50103a001 |
| Molecular Weight | 420.592 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS17801 |