| SpectraBase Compound ID | 5qD9xUkmQcm |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1 |
| InChIKey | FEBNTWHYQKGEIQ-SUKRRCERSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 36eJE5mCCbu |
|---|---|
| Name | Valerenic acid |
| CAS Registry Number | 3569-10-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1 |
| InChIKey | FEBNTWHYQKGEIQ-SUKRRCERSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | OC(\C(=C\[C@]1(C=2[C@](CCC2C)([C@@](CC1)(C)[H])[H])[H])C)=O |
| SPLASH | splash10-070x-4910000000-1a3270834792c96840d6 |
| Source of Spectrum | UT-1990-1515-0 |
| Synonyms | (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-2-propenoic acid (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-acrylic acid (E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-prop-2-enoic acid 2-Propenoic acid, 3-(2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl)-2-methyl-, (4S-(4alpha(E),7beta,7aalpha))- |
| Wiley ID | 1236381 |