| SpectraBase Compound ID | KnDwSg01APH |
|---|---|
| InChI | InChI=1S/C21H30O5/c1-11-12-6-8-26-16(12)10-14-13(11)9-15(22)18-20(2,19(24)25-4)7-5-17(23)21(14,18)3/h6,8,11,13-15,17-18,22-23H,5,7,9-10H2,1-4H3/t11-,13-,14-,15+,17-,18-,20-,21-/m0/s1 |
| InChIKey | JFROLRTYTSCKNK-PVMUARIFSA-N |
| Mol Weight | 362.47 g/mol |
| Molecular Formula | C21H30O5 |
| Exact Mass | 362.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsnvVIznqnr |
|---|---|
| Name | (REL)-1-BETA,6-BETA-DIHYDROXY-VOUCAPANE-19-BETA-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O5 |
| InChI | InChI=1S/C21H30O5/c1-11-12-6-8-26-16(12)10-14-13(11)9-15(22)18-20(2,19(24)25-4)7-5-17(23)21(14,18)3/h6,8,11,13-15,17-18,22-23H,5,7,9-10H2,1-4H3/t11-,13-,14-,15+,17-,18-,20-,21-/m0/s1 |
| InChIKey | JFROLRTYTSCKNK-PVMUARIFSA-N |
| Literature Reference Author | C.O.OCHIENG,P.O.OWUOR,L.A.O.MANGURO,H.AKALA,I.O.ISHOLA |
| Literature Reference Citation | FITOTERAPIA,83,74(2012) |
| Literature Reference DOI | 10.1016/j.fitote.2011.09.015 |
| Molecular Weight | 362.466 g/mol |
| Sample ID | 71742 |
| Solvent | CDCl3 |