| SpectraBase Compound ID | C8zMEeKP6w4 |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-13(2)22(27)10-9-20(3)12-17(21(4,26)11-16(24)18(20)22)28-19(25)14-5-7-15(23)8-6-14/h5-8,13,16-18,23-24,26-27H,9-12H2,1-4H3/t16-,17-,18+,20+,21-,22+/m0/s1 |
| InChIKey | PZBYTOJJGAKJAK-DJNRTHQISA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90tYlz52aDL |
|---|---|
| Name | 4-BETA,6-ALPHA,8-BETA-TRIHYDROXY-9-ALPHA-PARA-HYDROXYBENZOYLOXYDAUCANE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-13(2)22(27)10-9-20(3)12-17(21(4,26)11-16(24)18(20)22)28-19(25)14-5-7-15(23)8-6-14/h5-8,13,16-18,23-24,26-27H,9-12H2,1-4H3/t16-,17-,18+,20+,21-,22+/m0/s1 |
| InChIKey | PZBYTOJJGAKJAK-DJNRTHQISA-N |
| Literature Reference Author | A.A.AHMED |
| Literature Reference Citation | PHYTOCHEM.,30,1207(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95203-8 |
| Molecular Weight | 392.492 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU34212 |