| SpectraBase Compound ID | 2FoMOTQw5B6 |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17+,19-,20+/m1/s1 |
| InChIKey | SLMFLTPPPXRYHP-PECOGNCOSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AkJp3TIkx9g |
|---|---|
| Name | (5.alpha.,8.alpha.)-2-Oxocleroda-3,13(E)-dien-15-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17+,19-,20+/m1/s1 |
| InChIKey | SLMFLTPPPXRYHP-PECOGNCOSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | OC(\C=C\(CC[C@]1([C@]2([C@](C(=CC(C2)=O)C)(CC[C@]1(C)[H])C)[H])C)C)=O |
| SPLASH | splash10-00di-5900000000-fe9e27ab849fc39486c8 |
| Source of Spectrum | G4-69-772-2 |
| Synonyms | (5.alpha.,8.alpha.)-2-oxocolavenic acid (E)-5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-2-pentenoic acid (E)-5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid (E)-5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-pent-2-enoic acid (E)-5-[(1R,2R,4aR,8aS)-1,2,4a,5-tetramethyl-7-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methyl-pent-2-enoic acid |
| Wiley ID | 1694338 |