| SpectraBase Compound ID | 2sRFUrYHzbE |
|---|---|
| InChI | InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23?,26-,27-/m0/s1 |
| InChIKey | GIQOHSBJFWWSAH-BENQWKSTSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O5 |
| Exact Mass | 440.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aJwDoQTGOV |
|---|---|
| Name | SCOPARIC-ACID;6-BENZOYL-LABDA-8(17),13-DIENE-18-OIC-ACID-15-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O5 |
| InChI | InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23?,26-,27-/m0/s1 |
| InChIKey | GIQOHSBJFWWSAH-BENQWKSTSA-N |
| Literature Reference Author | T.HAYASHI,K.OKAMURA,Y.TAMADA,A.IIDA,T.FUJITA,N.MORITA |
| Literature Reference Citation | PHYTOCHEM.,32,349(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94992-6 |
| Molecular Weight | 440.580 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3619 |