| SpectraBase Spectrum ID |
8bb4JIIFhPp |
| Name |
Hydroxy-valerenic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11-,12+,14?/m0/s1 |
| InChIKey |
XJNQXTISSHEQKD-CGCHKINBSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
OC(\C(=C\[C@]1(C=2C([C@@](CC2C)(O)[H])[C@](CC1)(C)[H])[H])C)=O |
| SPLASH |
splash10-0006-6910000000-e4623af47c2e276af49f |
| Source of Spectrum |
UT-1990-1522-0 |
| Synonyms |
(2E)-3-[(1R,4S,7S)-1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methyl-2-propenoic acid |
| Wiley ID |
1253619 |
