| SpectraBase Compound ID | 12fzqKrnIhW |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1 |
| InChIKey | CFUISBDJXHZKJK-OBLPCYNLSA-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 | 2d2bhrPKet9 |
|---|---|
| Name | Macrophyllic acid A |
| Alternate Name(s) | (E)-3-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]-2-propenoic acid (E)-3-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]acrylic acid (E)-3-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-11-4-3-8-15(2)9-7-12(10-13(11)15)5-6-14(16)17/h5-6,12H,3-4,7-10H2,1-2H3,(H,16,17)/b6-5+/t12-,15-/m1/s1 |
| InChIKey | CFUISBDJXHZKJK-OBLPCYNLSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | OC(\C=C\[C@]1(CC=2[C@@](CC1)(CCCC2C)C)[H])=O |
| SPLASH | splash10-05o3-9860000000-039dbb3c22873f25a099 |
| Source of Spectrum | G4-64-469-1 |
| Wiley ID | 1608905 |