| SpectraBase Compound ID | CML79cklP6T |
|---|---|
| InChI | InChI=1S/C28H36O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12-13,15,21,30,32H,7-11,14H2,1-6H3/t15-,21-,25+,26+,27+,28-/m1/s1 |
| InChIKey | DONGTFGGMDGRAV-ZLPWHUKASA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C28H36O4 |
| Exact Mass | 436.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Tcf6lWGdZc |
|---|---|
| Name | 6-OXO-TINGENOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O4 |
| InChI | InChI=1S/C28H36O4/c1-15-11-21-25(3,14-20(15)31)7-9-28(6)22-13-18(29)23-16(2)24(32)19(30)12-17(23)26(22,4)8-10-27(21,28)5/h12-13,15,21,30,32H,7-11,14H2,1-6H3/t15-,21-,25+,26+,27+,28-/m1/s1 |
| InChIKey | DONGTFGGMDGRAV-ZLPWHUKASA-N |
| Literature Reference Author | V.G.RODRIGUES,L.P.DUARTE,G.D.F.SILVA,F.C.SILVA,J.V.GOES,J.A. TAKAHASHI |
| Literature Reference Citation | QUIM.NOVA,35,1375(2012) |
| Literature Reference DOI | 10.1590/s0100-40422012000700017 |
| Molecular Weight | 436.591 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWIR12525 |