![1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)decahydro-1,4a-dimethyl-6-methylene-, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-](/api/spectrum/HpaqKF2cOY8/structure.png?h=300&w=458 "1-Naphthalenecarboxylic acid, 5-(4-carboxy-3-methyl-3-butenyl)decahydro-1,4a-dimethyl-6-methylene-, [1S-[1.alpha.,4a.alpha.,5.alpha.(E),8a.beta.]]-")
| SpectraBase Compound ID | BibRIzmsIwl |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+ |
| InChIKey | QYCOHMYDSOZCQD-OUKQBFOZSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpaqKF2cOY8 |
|---|---|
| Name | Agathic acid |
| CAS Registry Number | 640-28-8 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12+ |
| InChIKey | QYCOHMYDSOZCQD-OUKQBFOZSA-N |
| Instrument Name | Varian CFT-20 |
| Literature Reference | J. Bastard, D.K. Duc, M. Fetizon, J. Nat. Products 47, 592 (1984). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |