| SpectraBase Compound ID | 4SLmZ5Au2ZA |
|---|---|
| InChI | InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-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 | L9ZUICGre0p |
|---|---|
| Name | TINGENINE-B;22-BETA-HYDROXY-TINGENONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H36O4 |
| InChI | InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1 |
| InChIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
| Literature Reference Author | K.NAKANO,Y.OOSE,Y.TAKAISHI |
| Literature Reference Citation | PHYTOCHEM.,46,1179(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80007-6 |
| Molecular Weight | 436.591 g/mol |
| Sample ID | 65402 |
| Solvent | Unknown |