| SpectraBase Compound ID | CHGfKf3pLS8 |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-13(2)22(27)10-9-20(3)12-17(24)21(4,26)11-16(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 | QCLJCHLNAUUSNX-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 | 1pKZJ6aCall |
|---|---|
| Name | 4-BETA,8-BETA,9-ALPHA-TRIHYDROXY-6-ALPHA-PARA-HYDROXYBENZOYLOXYDAUCANE |
| Copyright | Copyright © 2016-2025 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(24)21(4,26)11-16(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 | QCLJCHLNAUUSNX-DJNRTHQISA-N |
| Literature Reference Author | A.A.AHMED |
| Literature Reference Citation | J.NAT.PROD.,53,483(1990) |
| Literature Reference DOI | 10.1021/np50068a033 |
| Molecular Weight | 392.492 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS5757 |