| SpectraBase Compound ID | Bbi32YroaAf |
|---|---|
| InChI | InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24?,25?,26-,27+,28-/m1/s1 |
| InChIKey | LLINHWDEBZOLGN-PNMLEXDRSA-N |
| Mol Weight | 436.6 g/mol |
| Molecular Formula | C28H36O4 |
| Exact Mass | 436.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E9aeQxLgDJQ |
|---|---|
| Name | 20-Hydroxy-20-(epi)-tingenone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O4 |
| InChI | InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24?,25?,26-,27+,28-/m1/s1 |
| InChIKey | LLINHWDEBZOLGN-PNMLEXDRSA-N |
| Molecular Weight | 436.592 g/mol |
| SMILES | O[C@@]1(C[C@@]2(C(CC[C@@]3(C=4C(C5=CC(C(=C(C5=CC4)C)O)=O)(CC[C@@]23C)C)C)(CC1=O)C)[H])C |
| SPLASH | splash10-0f6x-9140000000-5452cb6588473efa25fe |
| Source of Spectrum | X2-57-5-2 |
| Wiley ID | 1605323 |