| SpectraBase Compound ID | LtShKXxjBlO |
|---|---|
| InChI | InChI=1S/C23H32O5/c1-14(2)22-19(25)11-15(3)7-6-8-16(4)12-21(22)28-23(26)17-9-10-18(24)20(13-17)27-5/h8-11,13-14,19,21-22,24-25H,6-7,12H2,1-5H3/b15-11+,16-8+/t19-,21-,22-/m0/s1 |
| InChIKey | OLJDCWYDXLXFJK-COKJDNMNSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C23H32O5 |
| Exact Mass | 388.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1WeL71naYUq |
|---|---|
| Name | 8-(Vanilloyl)-tovarol |
| Alternate Name(s) | 4-Hydroxy-3-methoxybenzoic acid [(1S,3E,7E,9S,10S)-9-hydroxy-3,7-dimethyl-10-propan-2-yl-1-cyclodeca-3,7-dienyl] ester [(1S,3E,7E,9S,10S)-9-hydroxy-3,7-dimethyl-10-propan-2-ylcyclodeca-3,7-dien-1-yl] 4-hydroxy-3-methoxybenzoate [(1S,3E,7E,9S,10S)-9-hydroxy-10-isopropyl-3,7-dimethyl-cyclodeca-3,7-dien-1-yl] 4-hydroxy-3-methoxy-benzoate [(1S,3E,7E,9S,10S)-3,7-dimethyl-9-oxidanyl-10-propan-2-yl-cyclodeca-3,7-dien-1-yl] 3-methoxy-4-oxidanyl-benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H32O5 |
| InChI | InChI=1S/C23H32O5/c1-14(2)22-19(25)11-15(3)7-6-8-16(4)12-21(22)28-23(26)17-9-10-18(24)20(13-17)27-5/h8-11,13-14,19,21-22,24-25H,6-7,12H2,1-5H3/b15-11+,16-8+/t19-,21-,22-/m0/s1 |
| InChIKey | OLJDCWYDXLXFJK-COKJDNMNSA-N |
| Molecular Weight | 388.504 g/mol |
| SMILES | O[C@@]1([C@@]([C@@](OC(c2ccc(c(c2)OC)O)=O)(C\C(=C\CC\C(=C\1)C)C)[H])(C(C)C)[H])[H] |
| SPLASH | splash10-0udi-0910000000-f51cfa3b5d8124728b3a |
| Source of Spectrum | X2-50-833-8 |
| Wiley ID | 1602433 |