| SpectraBase Compound ID | 4WIGtPf7WRF |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1 |
| InChIKey | JFQBNOIJWROZGE-HPMXROJMSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IjMGRWpPmhn |
|---|---|
| Name | Copalic acid |
| CAS Registry Number | 80657-12-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,20+/m1/s1 |
| InChIKey | JFQBNOIJWROZGE-HPMXROJMSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | OC(\C=C\(CC[C@]1([C@]2([C@@](C(CCC2)(C)C)(CCC1=C)[H])C)[H])C)=O |
| SPLASH | splash10-052r-8950000000-74f41fe03c8c775a9c1e |
| Source of Spectrum | G4-69-772-6 |
| Synonyms | (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-2-pentenoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-3-methyl-pent-2-enoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid (E)-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methyl-pent-2-enoic acid |
| Wiley ID | 1694335 |