| SpectraBase Compound ID | 4kqXsV0BEaj |
|---|---|
| InChI | InChI=1S/C23H32O6/c1-13(2)19-18(28-22(26)15-8-9-16(24)17(12-15)27-5)11-14(3)7-6-10-23(4)21(29-23)20(19)25/h7-9,12-13,18-21,24-25H,6,10-11H2,1-5H3/b14-7+/t18-,19+,20+,21-,23-/m0/s1 |
| InChIKey | UFAJJJAXWIXIJS-LDPOUYSFSA-N |
| Mol Weight | 404.5 g/mol |
| Molecular Formula | C23H32O6 |
| Exact Mass | 404.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Fzi6nABUk5 |
|---|---|
| Name | 8-(Vanilloyl)-shiromodiol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O6 |
| InChI | InChI=1S/C23H32O6/c1-13(2)19-18(28-22(26)15-8-9-16(24)17(12-15)27-5)11-14(3)7-6-10-23(4)21(29-23)20(19)25/h7-9,12-13,18-21,24-25H,6,10-11H2,1-5H3/b14-7+/t18-,19+,20+,21-,23-/m0/s1 |
| InChIKey | UFAJJJAXWIXIJS-LDPOUYSFSA-N |
| Molecular Weight | 404.503 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](OC(c2ccc(c(c2)OC)O)=O)(C\C(=C\CC[C@@]2(O[C@@]12[H])C)C)[H])(C(C)C)[H])[H] |
| SPLASH | splash10-0uxr-0900000000-c77c755fa7b2daa74e24 |
| Source of Spectrum | X2-50-834-10 |
| Wiley ID | 1602431 |